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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1) Show 1 protein XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2006-05-22 15:12:04 UTC

Update Date

2023-02-21 17:16:28 UTC

HMDB ID

HMDB0002706

Secondary Accession Numbers

HMDB02706

Metabolite Identification

Common Name

Canavanine

Description

L-Canavanine, a non-protein amino acid of certain leguminous plants, is related structurally to the protein amino acid, L-arginine. Canavanine is accumulated primarily in the seeds where it serves both as a defensive compound against herbivores and a vital source of nitrogen for the growing embryo. Organisms that consume it can mistakenly incorporate it into their own proteins, in the place of arginine thereby producing structurally aberrant proteins that may not function properly or not at all. Some specialized herbivores tolerate L-canavanine either because they metabolize it efficiently or avoid its incorporation into their own nascent proteins.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  N   UNK     0      13.598   6.311   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       9.597   4.001   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0       8.264   4.771   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       5.596   4.771   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       6.930   2.461   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.266   4.771   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      14.932   2.461   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    2   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S)-2-Ammonio-4-(carbamimidamidooxy)butanoate	ChEBI
L-Canavanine	ChEBI
2-Amino-4-(guanidinooxy)butyric acid	Kegg
(2S)-2-Ammonio-4-(carbamimidamidooxy)butanoic acid	Generator
2-Amino-4-(guanidinooxy)butyrate	Generator
Canavanin	HMDB
O-((Aminoiminomethyl)amino)homoserine	HMDB
L-2-Amino-4-(guanidinooxy)butyrate	HMDB
Canavanine	MeSH

Chemical Formula

C₅H₁₂N₄O₃

Average Molecular Weight

176.1738

Monoisotopic Molecular Weight

176.09094027

IUPAC Name

(2S)-2-amino-4-(carbamimidamidooxy)butanoic acid

Traditional Name

canavanine

CAS Registry Number

543-38-4

SMILES

N[C@@H](CCONC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1

InChI Key

FSBIGDSBMBYOPN-VKHMYHEASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Fatty acid
Guanidine
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Amine
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Organic oxide
Organopnictogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

non-proteinogenic L-alpha-amino acid (CHEBI:609827 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	184 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-3.324	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	Not Available	133.262	http://allccs.zhulab.cn/database/detail?ID=AllCCS00001300

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.77 g/L	ALOGPS
logP	-3.9	ALOGPS
logP	-3.7	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	2.1	ChemAxon
pKa (Strongest Basic)	10.34	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	134.45 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	61.24 m³·mol⁻¹	ChemAxon
Polarizability	17.02 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	138.823	31661259
DarkChem	[M-H]-	135.24	31661259
DeepCCS	[M+H]+	135.587	30932474
DeepCCS	[M-H]-	131.759	30932474
DeepCCS	[M-2H]-	169.396	30932474
DeepCCS	[M+Na]+	144.934	30932474
AllCCS	[M+H]+	139.1	32859911
AllCCS	[M+H-H2O]+	135.4	32859911
AllCCS	[M+NH4]+	142.6	32859911
AllCCS	[M+Na]+	143.6	32859911
AllCCS	[M-H]-	135.0	32859911
AllCCS	[M+Na-2H]-	136.6	32859911
AllCCS	[M+HCOO]-	138.3	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	0.49 minutes	32390414
Predicted by Siyang on May 30, 2022	9.8691 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.29 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	427.3 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	405.2 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	315.5 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	28.2 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	191.6 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	81.7 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	304.2 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	224.7 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	947.1 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	604.8 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	43.0 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	665.6 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	199.1 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	330.0 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	815.7 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	621.8 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	456.3 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Canavanine	N[C@@H](CCONC(N)=N)C(O)=O	2750.2	Standard polar	33892256
Canavanine	N[C@@H](CCONC(N)=N)C(O)=O	1825.6	Standard non polar	33892256
Canavanine	N[C@@H](CCONC(N)=N)C(O)=O	2223.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Canavanine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](N)CCONC(=N)N	1927.8	Semi standard non polar	33892256
Canavanine,1TMS,isomer #2	C[Si](C)(C)N[C@@H](CCONC(=N)N)C(=O)O	2051.2	Semi standard non polar	33892256
Canavanine,1TMS,isomer #3	C[Si](C)(C)NC(=N)NOCC[C@H](N)C(=O)O	2106.3	Semi standard non polar	33892256
Canavanine,1TMS,isomer #4	C[Si](C)(C)N(OCC[C@H](N)C(=O)O)C(=N)N	2081.8	Semi standard non polar	33892256
Canavanine,1TMS,isomer #5	C[Si](C)(C)N=C(N)NOCC[C@H](N)C(=O)O	1994.9	Semi standard non polar	33892256
Canavanine,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCONC(=N)N)C(=O)O[Si](C)(C)C	2026.9	Semi standard non polar	33892256
Canavanine,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCONC(=N)N)C(=O)O[Si](C)(C)C	1782.3	Standard non polar	33892256
Canavanine,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CCONC(=N)N)C(=O)O[Si](C)(C)C	4009.6	Standard polar	33892256
Canavanine,2TMS,isomer #10	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N[Si](C)(C)C	2064.6	Semi standard non polar	33892256
Canavanine,2TMS,isomer #10	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N[Si](C)(C)C	1731.2	Standard non polar	33892256
Canavanine,2TMS,isomer #10	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N[Si](C)(C)C	4003.4	Standard polar	33892256
Canavanine,2TMS,isomer #11	C[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	2154.7	Semi standard non polar	33892256
Canavanine,2TMS,isomer #11	C[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	1905.4	Standard non polar	33892256
Canavanine,2TMS,isomer #11	C[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	4070.8	Standard polar	33892256
Canavanine,2TMS,isomer #12	C[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	2051.2	Semi standard non polar	33892256
Canavanine,2TMS,isomer #12	C[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	1834.0	Standard non polar	33892256
Canavanine,2TMS,isomer #12	C[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	4007.6	Standard polar	33892256
Canavanine,2TMS,isomer #2	C[Si](C)(C)NC(=N)NOCC[C@H](N)C(=O)O[Si](C)(C)C	2107.0	Semi standard non polar	33892256
Canavanine,2TMS,isomer #2	C[Si](C)(C)NC(=N)NOCC[C@H](N)C(=O)O[Si](C)(C)C	1849.6	Standard non polar	33892256
Canavanine,2TMS,isomer #2	C[Si](C)(C)NC(=N)NOCC[C@H](N)C(=O)O[Si](C)(C)C	3944.8	Standard polar	33892256
Canavanine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N)[Si](C)(C)C	2043.7	Semi standard non polar	33892256
Canavanine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N)[Si](C)(C)C	1839.1	Standard non polar	33892256
Canavanine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N)[Si](C)(C)C	3962.3	Standard polar	33892256
Canavanine,2TMS,isomer #4	C[Si](C)(C)N=C(N)NOCC[C@H](N)C(=O)O[Si](C)(C)C	1967.4	Semi standard non polar	33892256
Canavanine,2TMS,isomer #4	C[Si](C)(C)N=C(N)NOCC[C@H](N)C(=O)O[Si](C)(C)C	1785.1	Standard non polar	33892256
Canavanine,2TMS,isomer #4	C[Si](C)(C)N=C(N)NOCC[C@H](N)C(=O)O[Si](C)(C)C	3902.2	Standard polar	33892256
Canavanine,2TMS,isomer #5	C[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C)C(=O)O	2167.3	Semi standard non polar	33892256
Canavanine,2TMS,isomer #5	C[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C)C(=O)O	1838.1	Standard non polar	33892256
Canavanine,2TMS,isomer #5	C[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C)C(=O)O	4004.3	Standard polar	33892256
Canavanine,2TMS,isomer #6	C[Si](C)(C)N([C@@H](CCONC(=N)N)C(=O)O)[Si](C)(C)C	2189.3	Semi standard non polar	33892256
Canavanine,2TMS,isomer #6	C[Si](C)(C)N([C@@H](CCONC(=N)N)C(=O)O)[Si](C)(C)C	1848.0	Standard non polar	33892256
Canavanine,2TMS,isomer #6	C[Si](C)(C)N([C@@H](CCONC(=N)N)C(=O)O)[Si](C)(C)C	4256.7	Standard polar	33892256
Canavanine,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C)C(=O)O	2125.5	Semi standard non polar	33892256
Canavanine,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C)C(=O)O	1866.9	Standard non polar	33892256
Canavanine,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C)C(=O)O	3833.1	Standard polar	33892256
Canavanine,2TMS,isomer #8	C[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C)C(=O)O	2031.1	Semi standard non polar	33892256
Canavanine,2TMS,isomer #8	C[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C)C(=O)O	1781.3	Standard non polar	33892256
Canavanine,2TMS,isomer #8	C[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C)C(=O)O	3784.3	Standard polar	33892256
Canavanine,2TMS,isomer #9	C[Si](C)(C)N(C(=N)NOCC[C@H](N)C(=O)O)[Si](C)(C)C	2200.7	Semi standard non polar	33892256
Canavanine,2TMS,isomer #9	C[Si](C)(C)N(C(=N)NOCC[C@H](N)C(=O)O)[Si](C)(C)C	1953.3	Standard non polar	33892256
Canavanine,2TMS,isomer #9	C[Si](C)(C)N(C(=N)NOCC[C@H](N)C(=O)O)[Si](C)(C)C	4088.9	Standard polar	33892256
Canavanine,3TMS,isomer #1	C[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2188.1	Semi standard non polar	33892256
Canavanine,3TMS,isomer #1	C[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1901.9	Standard non polar	33892256
Canavanine,3TMS,isomer #1	C[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3546.4	Standard polar	33892256
Canavanine,3TMS,isomer #10	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2117.5	Semi standard non polar	33892256
Canavanine,3TMS,isomer #10	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	1790.9	Standard non polar	33892256
Canavanine,3TMS,isomer #10	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	3532.7	Standard polar	33892256
Canavanine,3TMS,isomer #11	C[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2195.9	Semi standard non polar	33892256
Canavanine,3TMS,isomer #11	C[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1981.2	Standard non polar	33892256
Canavanine,3TMS,isomer #11	C[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3461.0	Standard polar	33892256
Canavanine,3TMS,isomer #12	C[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2326.9	Semi standard non polar	33892256
Canavanine,3TMS,isomer #12	C[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1963.2	Standard non polar	33892256
Canavanine,3TMS,isomer #12	C[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3625.2	Standard polar	33892256
Canavanine,3TMS,isomer #13	C[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	2227.7	Semi standard non polar	33892256
Canavanine,3TMS,isomer #13	C[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	1969.8	Standard non polar	33892256
Canavanine,3TMS,isomer #13	C[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3642.7	Standard polar	33892256
Canavanine,3TMS,isomer #14	C[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2182.5	Semi standard non polar	33892256
Canavanine,3TMS,isomer #14	C[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1908.6	Standard non polar	33892256
Canavanine,3TMS,isomer #14	C[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3660.7	Standard polar	33892256
Canavanine,3TMS,isomer #15	C[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2104.8	Semi standard non polar	33892256
Canavanine,3TMS,isomer #15	C[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1867.3	Standard non polar	33892256
Canavanine,3TMS,isomer #15	C[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3530.4	Standard polar	33892256
Canavanine,3TMS,isomer #16	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2142.5	Semi standard non polar	33892256
Canavanine,3TMS,isomer #16	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1900.5	Standard non polar	33892256
Canavanine,3TMS,isomer #16	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3646.0	Standard polar	33892256
Canavanine,3TMS,isomer #17	C[Si](C)(C)N(OCC[C@H](N)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2197.4	Semi standard non polar	33892256
Canavanine,3TMS,isomer #17	C[Si](C)(C)N(OCC[C@H](N)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2092.2	Standard non polar	33892256
Canavanine,3TMS,isomer #17	C[Si](C)(C)N(OCC[C@H](N)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3710.7	Standard polar	33892256
Canavanine,3TMS,isomer #18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	2101.4	Semi standard non polar	33892256
Canavanine,3TMS,isomer #18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	1854.6	Standard non polar	33892256
Canavanine,3TMS,isomer #18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C	3611.2	Standard polar	33892256
Canavanine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCONC(=N)N)N([Si](C)(C)C)[Si](C)(C)C	2175.8	Semi standard non polar	33892256
Canavanine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCONC(=N)N)N([Si](C)(C)C)[Si](C)(C)C	1886.3	Standard non polar	33892256
Canavanine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCONC(=N)N)N([Si](C)(C)C)[Si](C)(C)C	3820.0	Standard polar	33892256
Canavanine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2072.2	Semi standard non polar	33892256
Canavanine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	1915.4	Standard non polar	33892256
Canavanine,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3535.7	Standard polar	33892256
Canavanine,3TMS,isomer #4	C[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2041.0	Semi standard non polar	33892256
Canavanine,3TMS,isomer #4	C[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	1805.4	Standard non polar	33892256
Canavanine,3TMS,isomer #4	C[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3564.8	Standard polar	33892256
Canavanine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C	2163.4	Semi standard non polar	33892256
Canavanine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C	2029.6	Standard non polar	33892256
Canavanine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](N)CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C	3506.6	Standard polar	33892256
Canavanine,3TMS,isomer #6	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2067.6	Semi standard non polar	33892256
Canavanine,3TMS,isomer #6	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	1790.8	Standard non polar	33892256
Canavanine,3TMS,isomer #6	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3568.2	Standard polar	33892256
Canavanine,3TMS,isomer #7	C[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2137.8	Semi standard non polar	33892256
Canavanine,3TMS,isomer #7	C[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1965.7	Standard non polar	33892256
Canavanine,3TMS,isomer #7	C[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3536.1	Standard polar	33892256
Canavanine,3TMS,isomer #8	C[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2026.5	Semi standard non polar	33892256
Canavanine,3TMS,isomer #8	C[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1846.3	Standard non polar	33892256
Canavanine,3TMS,isomer #8	C[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3721.0	Standard polar	33892256
Canavanine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2252.2	Semi standard non polar	33892256
Canavanine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2013.9	Standard non polar	33892256
Canavanine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3369.0	Standard polar	33892256
Canavanine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2198.6	Semi standard non polar	33892256
Canavanine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2074.5	Standard non polar	33892256
Canavanine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3010.8	Standard polar	33892256
Canavanine,4TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2088.1	Semi standard non polar	33892256
Canavanine,4TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1885.9	Standard non polar	33892256
Canavanine,4TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3193.9	Standard polar	33892256
Canavanine,4TMS,isomer #11	C[Si](C)(C)N(C(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2371.1	Semi standard non polar	33892256
Canavanine,4TMS,isomer #11	C[Si](C)(C)N(C(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2146.5	Standard non polar	33892256
Canavanine,4TMS,isomer #11	C[Si](C)(C)N(C(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3118.8	Standard polar	33892256
Canavanine,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2242.0	Semi standard non polar	33892256
Canavanine,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2169.7	Standard non polar	33892256
Canavanine,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3061.5	Standard polar	33892256
Canavanine,4TMS,isomer #13	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2183.0	Semi standard non polar	33892256
Canavanine,4TMS,isomer #13	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	1951.7	Standard non polar	33892256
Canavanine,4TMS,isomer #13	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3061.6	Standard polar	33892256
Canavanine,4TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2157.3	Semi standard non polar	33892256
Canavanine,4TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	1906.0	Standard non polar	33892256
Canavanine,4TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3062.3	Standard polar	33892256
Canavanine,4TMS,isomer #15	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2279.5	Semi standard non polar	33892256
Canavanine,4TMS,isomer #15	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	1883.6	Standard non polar	33892256
Canavanine,4TMS,isomer #15	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	3265.0	Standard polar	33892256
Canavanine,4TMS,isomer #16	C[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2310.3	Semi standard non polar	33892256
Canavanine,4TMS,isomer #16	C[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2106.1	Standard non polar	33892256
Canavanine,4TMS,isomer #16	C[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3180.7	Standard polar	33892256
Canavanine,4TMS,isomer #17	C[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2197.1	Semi standard non polar	33892256
Canavanine,4TMS,isomer #17	C[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1970.1	Standard non polar	33892256
Canavanine,4TMS,isomer #17	C[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3425.7	Standard polar	33892256
Canavanine,4TMS,isomer #18	C[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2151.2	Semi standard non polar	33892256
Canavanine,4TMS,isomer #18	C[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2081.6	Standard non polar	33892256
Canavanine,4TMS,isomer #18	C[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3203.0	Standard polar	33892256
Canavanine,4TMS,isomer #2	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2129.1	Semi standard non polar	33892256
Canavanine,4TMS,isomer #2	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	1802.1	Standard non polar	33892256
Canavanine,4TMS,isomer #2	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3179.1	Standard polar	33892256
Canavanine,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2178.5	Semi standard non polar	33892256
Canavanine,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2014.2	Standard non polar	33892256
Canavanine,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3067.7	Standard polar	33892256
Canavanine,4TMS,isomer #4	C[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2318.4	Semi standard non polar	33892256
Canavanine,4TMS,isomer #4	C[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2001.9	Standard non polar	33892256
Canavanine,4TMS,isomer #4	C[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3252.3	Standard polar	33892256
Canavanine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2219.8	Semi standard non polar	33892256
Canavanine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2023.7	Standard non polar	33892256
Canavanine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3432.2	Standard polar	33892256
Canavanine,4TMS,isomer #6	C[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2163.3	Semi standard non polar	33892256
Canavanine,4TMS,isomer #6	C[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1893.9	Standard non polar	33892256
Canavanine,4TMS,isomer #6	C[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3501.5	Standard polar	33892256
Canavanine,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2054.9	Semi standard non polar	33892256
Canavanine,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1868.0	Standard non polar	33892256
Canavanine,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3360.3	Standard polar	33892256
Canavanine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2179.6	Semi standard non polar	33892256
Canavanine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2158.4	Standard non polar	33892256
Canavanine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3242.1	Standard polar	33892256
Canavanine,4TMS,isomer #9	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2117.7	Semi standard non polar	33892256
Canavanine,4TMS,isomer #9	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1936.5	Standard non polar	33892256
Canavanine,4TMS,isomer #9	C[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3220.7	Standard polar	33892256
Canavanine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2362.1	Semi standard non polar	33892256
Canavanine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2164.2	Standard non polar	33892256
Canavanine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2856.9	Standard polar	33892256
Canavanine,5TMS,isomer #10	C[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2372.3	Semi standard non polar	33892256
Canavanine,5TMS,isomer #10	C[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2298.4	Standard non polar	33892256
Canavanine,5TMS,isomer #10	C[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2867.6	Standard polar	33892256
Canavanine,5TMS,isomer #11	C[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2204.3	Semi standard non polar	33892256
Canavanine,5TMS,isomer #11	C[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2124.3	Standard non polar	33892256
Canavanine,5TMS,isomer #11	C[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2623.2	Standard polar	33892256
Canavanine,5TMS,isomer #12	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2291.9	Semi standard non polar	33892256
Canavanine,5TMS,isomer #12	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2011.3	Standard non polar	33892256
Canavanine,5TMS,isomer #12	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2848.3	Standard polar	33892256
Canavanine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2216.6	Semi standard non polar	33892256
Canavanine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2198.6	Standard non polar	33892256
Canavanine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2726.0	Standard polar	33892256
Canavanine,5TMS,isomer #3	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2165.4	Semi standard non polar	33892256
Canavanine,5TMS,isomer #3	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1955.8	Standard non polar	33892256
Canavanine,5TMS,isomer #3	C[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2751.1	Standard polar	33892256
Canavanine,5TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2136.8	Semi standard non polar	33892256
Canavanine,5TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	1929.1	Standard non polar	33892256
Canavanine,5TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2722.4	Standard polar	33892256
Canavanine,5TMS,isomer #5	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2281.7	Semi standard non polar	33892256
Canavanine,5TMS,isomer #5	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	1899.6	Standard non polar	33892256
Canavanine,5TMS,isomer #5	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2997.2	Standard polar	33892256
Canavanine,5TMS,isomer #6	C[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2332.2	Semi standard non polar	33892256
Canavanine,5TMS,isomer #6	C[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2118.3	Standard non polar	33892256
Canavanine,5TMS,isomer #6	C[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2889.7	Standard polar	33892256
Canavanine,5TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2234.7	Semi standard non polar	33892256
Canavanine,5TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1982.1	Standard non polar	33892256
Canavanine,5TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3312.8	Standard polar	33892256
Canavanine,5TMS,isomer #8	C[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2137.6	Semi standard non polar	33892256
Canavanine,5TMS,isomer #8	C[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2097.9	Standard non polar	33892256
Canavanine,5TMS,isomer #8	C[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2839.6	Standard polar	33892256
Canavanine,5TMS,isomer #9	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2339.3	Semi standard non polar	33892256
Canavanine,5TMS,isomer #9	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2049.3	Standard non polar	33892256
Canavanine,5TMS,isomer #9	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2857.0	Standard polar	33892256
Canavanine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2410.8	Semi standard non polar	33892256
Canavanine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2300.5	Standard non polar	33892256
Canavanine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2595.6	Standard polar	33892256
Canavanine,6TMS,isomer #2	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2383.7	Semi standard non polar	33892256
Canavanine,6TMS,isomer #2	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2063.4	Standard non polar	33892256
Canavanine,6TMS,isomer #2	C[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2616.5	Standard polar	33892256
Canavanine,6TMS,isomer #3	C[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2178.5	Semi standard non polar	33892256
Canavanine,6TMS,isomer #3	C[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2140.3	Standard non polar	33892256
Canavanine,6TMS,isomer #3	C[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2335.2	Standard polar	33892256
Canavanine,6TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2349.4	Semi standard non polar	33892256
Canavanine,6TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2049.2	Standard non polar	33892256
Canavanine,6TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2601.8	Standard polar	33892256
Canavanine,6TMS,isomer #5	C[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2381.5	Semi standard non polar	33892256
Canavanine,6TMS,isomer #5	C[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2234.1	Standard non polar	33892256
Canavanine,6TMS,isomer #5	C[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2448.6	Standard polar	33892256
Canavanine,7TMS,isomer #1	C[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2474.9	Semi standard non polar	33892256
Canavanine,7TMS,isomer #1	C[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2253.3	Standard non polar	33892256
Canavanine,7TMS,isomer #1	C[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2291.1	Standard polar	33892256
Canavanine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCONC(=N)N	2185.0	Semi standard non polar	33892256
Canavanine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N)C(=O)O	2296.2	Semi standard non polar	33892256
Canavanine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N)C(=O)O	2373.8	Semi standard non polar	33892256
Canavanine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(OCC[C@H](N)C(=O)O)C(=N)N	2301.6	Semi standard non polar	33892256
Canavanine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N)C(=O)O	2271.9	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	2492.6	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	2172.0	Standard non polar	33892256
Canavanine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	3888.6	Standard polar	33892256
Canavanine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N[Si](C)(C)C(C)(C)C	2547.2	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N[Si](C)(C)C(C)(C)C	2065.7	Standard non polar	33892256
Canavanine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N[Si](C)(C)C(C)(C)C	3724.6	Standard polar	33892256
Canavanine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2608.4	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2266.6	Standard non polar	33892256
Canavanine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3737.9	Standard polar	33892256
Canavanine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2516.9	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2181.6	Standard non polar	33892256
Canavanine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3902.2	Standard polar	33892256
Canavanine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	2591.0	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	2229.5	Standard non polar	33892256
Canavanine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	3704.7	Standard polar	33892256
Canavanine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N)[Si](C)(C)C(C)(C)C	2497.0	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N)[Si](C)(C)C(C)(C)C	2241.3	Standard non polar	33892256
Canavanine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N)[Si](C)(C)C(C)(C)C	3885.3	Standard polar	33892256
Canavanine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	2449.3	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	2129.6	Standard non polar	33892256
Canavanine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C	3891.1	Standard polar	33892256
Canavanine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O	2667.8	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O	2194.1	Standard non polar	33892256
Canavanine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O	3636.7	Standard polar	33892256
Canavanine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N([C@@H](CCONC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	2615.2	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N([C@@H](CCONC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	2211.8	Standard non polar	33892256
Canavanine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N([C@@H](CCONC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4059.7	Standard polar	33892256
Canavanine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	2583.0	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	2239.9	Standard non polar	33892256
Canavanine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	3709.3	Standard polar	33892256
Canavanine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O	2519.5	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O	2129.6	Standard non polar	33892256
Canavanine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O	3719.4	Standard polar	33892256
Canavanine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=N)NOCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2606.9	Semi standard non polar	33892256
Canavanine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=N)NOCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2321.9	Standard non polar	33892256
Canavanine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=N)NOCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3795.0	Standard polar	33892256
Canavanine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2858.9	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2409.9	Standard non polar	33892256
Canavanine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3361.8	Standard polar	33892256
Canavanine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	2796.3	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	2221.0	Standard non polar	33892256
Canavanine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3340.3	Standard polar	33892256
Canavanine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2861.3	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2497.9	Standard non polar	33892256
Canavanine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3326.0	Standard polar	33892256
Canavanine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2948.0	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2460.1	Standard non polar	33892256
Canavanine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3414.5	Standard polar	33892256
Canavanine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	2863.7	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	2497.0	Standard non polar	33892256
Canavanine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	3590.0	Standard polar	33892256
Canavanine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2826.3	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2388.8	Standard non polar	33892256
Canavanine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3639.5	Standard polar	33892256
Canavanine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2743.8	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2346.3	Standard non polar	33892256
Canavanine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3560.5	Standard polar	33892256
Canavanine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2764.6	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2402.6	Standard non polar	33892256
Canavanine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3451.0	Standard polar	33892256
Canavanine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(OCC[C@H](N)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2783.9	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(OCC[C@H](N)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2622.9	Standard non polar	33892256
Canavanine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(OCC[C@H](N)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3478.4	Standard polar	33892256
Canavanine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2717.5	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	2332.7	Standard non polar	33892256
Canavanine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C	3427.9	Standard polar	33892256
Canavanine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCONC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2782.8	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCONC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2436.4	Standard non polar	33892256
Canavanine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCONC(=N)N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3711.8	Standard polar	33892256
Canavanine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2731.3	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2454.5	Standard non polar	33892256
Canavanine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3546.4	Standard polar	33892256
Canavanine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2682.4	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2287.3	Standard non polar	33892256
Canavanine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3597.7	Standard polar	33892256
Canavanine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2800.1	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2564.7	Standard non polar	33892256
Canavanine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3398.0	Standard polar	33892256
Canavanine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2731.4	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2259.7	Standard non polar	33892256
Canavanine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3429.5	Standard polar	33892256
Canavanine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2774.8	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2496.7	Standard non polar	33892256
Canavanine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3416.6	Standard polar	33892256
Canavanine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2666.6	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2362.4	Standard non polar	33892256
Canavanine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3762.5	Standard polar	33892256
Canavanine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2887.3	Semi standard non polar	33892256
Canavanine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2553.8	Standard non polar	33892256
Canavanine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3297.1	Standard polar	33892256
Canavanine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3047.9	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2741.1	Standard non polar	33892256
Canavanine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3126.0	Standard polar	33892256
Canavanine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2895.2	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2504.4	Standard non polar	33892256
Canavanine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3233.7	Standard polar	33892256
Canavanine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3173.5	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2778.6	Standard non polar	33892256
Canavanine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=N)NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3192.1	Standard polar	33892256
Canavanine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3062.4	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2833.5	Standard non polar	33892256
Canavanine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3159.6	Standard polar	33892256
Canavanine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3022.0	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2561.2	Standard non polar	33892256
Canavanine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3123.1	Standard polar	33892256
Canavanine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2970.5	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2492.9	Standard non polar	33892256
Canavanine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3116.8	Standard polar	33892256
Canavanine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3117.5	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2483.5	Standard non polar	33892256
Canavanine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3222.2	Standard polar	33892256
Canavanine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3151.2	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2728.2	Standard non polar	33892256
Canavanine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3215.0	Standard polar	33892256
Canavanine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3062.6	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2596.0	Standard non polar	33892256
Canavanine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3530.7	Standard polar	33892256
Canavanine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2983.4	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2721.4	Standard non polar	33892256
Canavanine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3219.4	Standard polar	33892256
Canavanine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2975.0	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2396.7	Standard non polar	33892256
Canavanine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3158.7	Standard polar	33892256
Canavanine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3012.4	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2677.8	Standard non polar	33892256
Canavanine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3142.5	Standard polar	33892256
Canavanine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3128.4	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2642.2	Standard non polar	33892256
Canavanine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.1	Standard polar	33892256
Canavanine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3050.9	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2694.7	Standard non polar	33892256
Canavanine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3495.8	Standard polar	33892256
Canavanine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3007.0	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2541.3	Standard non polar	33892256
Canavanine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3558.9	Standard polar	33892256
Canavanine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2900.3	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2504.0	Standard non polar	33892256
Canavanine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3492.4	Standard polar	33892256
Canavanine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2996.2	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2829.7	Standard non polar	33892256
Canavanine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3261.9	Standard polar	33892256
Canavanine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2961.7	Semi standard non polar	33892256
Canavanine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2573.6	Standard non polar	33892256
Canavanine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3246.0	Standard polar	33892256
Canavanine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3365.0	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2973.1	Standard non polar	33892256
Canavanine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3101.5	Standard polar	33892256
Canavanine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3369.3	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3046.2	Standard non polar	33892256
Canavanine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3072.8	Standard polar	33892256
Canavanine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3241.5	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2896.6	Standard non polar	33892256
Canavanine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2942.9	Standard polar	33892256
Canavanine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3312.5	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2764.1	Standard non polar	33892256
Canavanine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3074.8	Standard polar	33892256
Canavanine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3230.2	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2995.6	Standard non polar	33892256
Canavanine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3028.8	Standard polar	33892256
Canavanine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3172.6	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2742.9	Standard non polar	33892256
Canavanine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3023.8	Standard polar	33892256
Canavanine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3116.6	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2689.6	Standard non polar	33892256
Canavanine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3029.4	Standard polar	33892256
Canavanine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3292.6	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2683.6	Standard non polar	33892256
Canavanine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3153.4	Standard polar	33892256
Canavanine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3335.3	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2928.8	Standard non polar	33892256
Canavanine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3127.6	Standard polar	33892256
Canavanine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3256.6	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2795.0	Standard non polar	33892256
Canavanine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.7	Standard polar	33892256
Canavanine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3167.3	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2898.7	Standard non polar	33892256
Canavanine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3089.9	Standard polar	33892256
Canavanine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3357.7	Semi standard non polar	33892256
Canavanine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2815.3	Standard non polar	33892256
Canavanine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3062.3	Standard polar	33892256
Canavanine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3568.2	Semi standard non polar	33892256
Canavanine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3244.3	Standard non polar	33892256
Canavanine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3002.9	Standard polar	33892256
Canavanine,6TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3541.9	Semi standard non polar	33892256
Canavanine,6TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3026.6	Standard non polar	33892256
Canavanine,6TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2991.3	Standard polar	33892256
Canavanine,6TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3385.6	Semi standard non polar	33892256
Canavanine,6TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3079.1	Standard non polar	33892256
Canavanine,6TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2883.5	Standard polar	33892256
Canavanine,6TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3507.2	Semi standard non polar	33892256
Canavanine,6TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2981.4	Standard non polar	33892256
Canavanine,6TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3004.6	Standard polar	33892256
Canavanine,6TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3565.6	Semi standard non polar	33892256
Canavanine,6TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3149.4	Standard non polar	33892256
Canavanine,6TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N(OCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2920.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Canavanine GC-MS (4 TMS)	splash10-0uk9-2930000000-f0b7791e84a9692c9896	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Canavanine GC-MS (Non-derivatized)	splash10-0uk9-2930000000-f0b7791e84a9692c9896	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Canavanine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9100000000-97acb154cb1e58dea04a	2017-08-28	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Canavanine GC-MS (1 TMS) - 70eV, Positive	splash10-006x-9310000000-65f69dfa455b1707a1e8	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Canavanine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOF	splash10-004i-0900000000-1bb8236fdf1b58516604	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOF	splash10-01b9-4900000000-bb3b6e4a69d652b8ca9f	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOF	splash10-06di-9400000000-d5093b67a7ae4861da94	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOF	splash10-0a4i-9100000000-c152969360d44d895d0f	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOF	splash10-0k96-9000000000-277b39712e9095e29987	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF	splash10-004i-0900000000-ba76dc7ddbe1f642142a	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF	splash10-004i-7900000000-e4399ab6ff268986734e	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF	splash10-00b9-9100000000-fa6508b89d97cec98552	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF	splash10-05di-9000000000-3dadb3257235bbed4b41	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF	splash10-0ab9-9000000000-c1e347b18ad0b5e0667e	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , negative-QTOF	splash10-004i-0900000000-1bb8236fdf1b58516604	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , negative-QTOF	splash10-01b9-4900000000-6273e4c764e53645e523	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , negative-QTOF	splash10-06di-9400000000-d5093b67a7ae4861da94	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , negative-QTOF	splash10-0a4i-9100000000-c152969360d44d895d0f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , negative-QTOF	splash10-0k96-9000000000-277b39712e9095e29987	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , positive-QTOF	splash10-004i-0900000000-ba76dc7ddbe1f642142a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , positive-QTOF	splash10-004i-7900000000-e4399ab6ff268986734e	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , positive-QTOF	splash10-00b9-9100000000-e6d11248bff03dbe3f4e	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Canavanine LC-ESI-QQ , positive-QTOF	splash10-05di-9000000000-444161e8e39f43477d96	2017-09-14	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavanine 10V, Positive-QTOF	splash10-0kcr-3900000000-3035f2c40483995fefea	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavanine 20V, Positive-QTOF	splash10-0a4i-9500000000-87a602f996e2b691bc56	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavanine 40V, Positive-QTOF	splash10-0a4i-9000000000-231b107110171e252832	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavanine 10V, Negative-QTOF	splash10-0059-3900000000-83f24d50a43c98428bd8	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavanine 20V, Negative-QTOF	splash10-0a4i-9100000000-71a411b47be6341daaf5	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Canavanine 40V, Negative-QTOF	splash10-0006-9000000000-c459abc57107fc6f4bf1	2017-07-26	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	34436864	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB01833

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Canavanine

METLIN ID

3238

PubChem Compound

439202

PDB ID

Not Available

ChEBI ID

405237

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Not Available

Enzymes

Enzyme Details

1. Nitric oxide synthase, endothelial

General function:: Involved in oxidoreductase activity
Specific function:: Produces nitric oxide (NO) which is implicated in vascular smooth muscle relaxation through a cGMP-mediated signal transduction pathway. NO mediates vascular endothelial growth factor (VEGF)-induced angiogenesis in coronary vessels and promotes blood clotting through the activation of platelets. Isoform eNOS13C: Lacks eNOS activity, dominant-negative form that may down-regulate eNOS activity by forming heterodimers with isoform 1.
Gene Name:: NOS3
Uniprot ID:: P29474
Molecular weight:: 133273.59

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Showing metabocard for Canavanine (HMDB0002706)

MOL for HMDB0002706 (Canavanine)

3D MOL for HMDB0002706 (Canavanine)

3D SDF for HMDB0002706 (Canavanine)

3D-SDF for HMDB0002706 (Canavanine)

PDB for HMDB0002706 (Canavanine)

3D PDB for HMDB0002706 (Canavanine)

SMILES for HMDB0002706 (Canavanine)

INCHI for HMDB0002706 (Canavanine)

Structure for HMDB0002706 (Canavanine)

3D Structure for HMDB0002706 (Canavanine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

References