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Showing metabocard for Phosphonoacetate (HMDB0004110)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-08-13 11:11:24 UTC
Update Date2023-02-21 17:16:56 UTC
HMDB IDHMDB0004110
Secondary Accession Numbers
  • HMDB04110
Metabolite Identification
Common NamePhosphonoacetate
DescriptionPhosphonoacetate, also known as fosfonet, belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid. Phosphonoacetate exists in all living organisms, ranging from bacteria to humans. Phosphonoacetate has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make phosphonoacetate a potential biomarker for the consumption of these foods. Phosphonoacetate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on Phosphonoacetate.
Structure
Data?1676999816
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0004110 (Phosphonoacetate)


  Mrv1652305271900262D          

  8  7  0  0  0  0            999 V2000
    0.1105   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
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3D MOL for HMDB0004110 (Phosphonoacetate)

HMDB0004110
     RDKit          3D
Phosphonoacetate
 13 12  0  0  0  0  0  0  0  0999 V2000
    1.6175    0.4155   -1.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641    0.0100   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001   -0.1905    0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4662   -0.2785    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754    0.0073   -0.4693 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9185    0.2949   -1.9300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255   -1.3382   -0.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9278    1.3210    0.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057    0.0750    1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5135    0.4201    1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5305   -1.3065    0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0629   -1.0333   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.3397    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  5  8  1  0
  3  9  1  0
  4 10  1  0
  4 11  1  0
  7 12  1  0
  8 13  1  0
M  END
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3D SDF for HMDB0004110 (Phosphonoacetate)


  Mrv1652305271900262D          

  8  7  0  0  0  0            999 V2000
    0.1105   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0004110

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(=O)CP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)

> <INCHI_KEY>
XUYJLQHKOGNDPB-UHFFFAOYSA-N

> <FORMULA>
C2H5O5P

> <MOLECULAR_WEIGHT>
140.0319

> <EXACT_MASS>
139.987459782

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
9.62935134077581

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-phosphonoacetic acid

> <ALOGPS_LOGP>
-2.58

> <JCHEM_LOGP>
-1.6011253753333332

> <ALOGPS_LOGS>
-0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.175716720456989

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6377235892899562

> <JCHEM_POLAR_SURFACE_AREA>
94.83000000000001

> <JCHEM_REFRACTIVITY>
23.634

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.51e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phosphonoacetic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0004110 (Phosphonoacetate)

HMDB0004110
     RDKit          3D
Phosphonoacetate
 13 12  0  0  0  0  0  0  0  0999 V2000
    1.6175    0.4155   -1.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641    0.0100   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001   -0.1905    0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4662   -0.2785    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754    0.0073   -0.4693 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9185    0.2949   -1.9300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255   -1.3382   -0.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9278    1.3210    0.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057    0.0750    1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5135    0.4201    1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5305   -1.3065    0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0629   -1.0333   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.3397    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  5  8  1  0
  3  9  1  0
  4 10  1  0
  4 11  1  0
  7 12  1  0
  8 13  1  0
M  END
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PDB for HMDB0004110 (Phosphonoacetate)

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  O   UNK     0       0.206  -3.850   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.206  -2.310   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.127  -1.540   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.540  -1.540   0.000  0.00  0.00           C+0
HETATM    5  P   UNK     0       1.540   0.000   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0       1.540   1.540   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       3.080   0.000   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5                                                            
MASTER        0    0    0    0    0    0    0    0    8    0   14    0
END
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3D PDB for HMDB0004110 (Phosphonoacetate)

COMPND    HMDB0004110
HETATM    1  O1  UNL     1       1.617   0.415  -1.621  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.664   0.010  -0.439  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.900  -0.191   0.163  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.466  -0.278   0.385  1.00  0.00           C  
HETATM    5  P1  UNL     1      -1.075   0.007  -0.469  1.00  0.00           P  
HETATM    6  O3  UNL     1      -0.918   0.295  -1.930  1.00  0.00           O  
HETATM    7  O4  UNL     1      -2.126  -1.338  -0.340  1.00  0.00           O  
HETATM    8  O5  UNL     1      -1.928   1.321   0.215  1.00  0.00           O  
HETATM    9  H1  UNL     1       3.106   0.075   1.116  1.00  0.00           H  
HETATM   10  H2  UNL     1       0.514   0.420   1.259  1.00  0.00           H  
HETATM   11  H3  UNL     1       0.531  -1.307   0.834  1.00  0.00           H  
HETATM   12  H4  UNL     1      -3.063  -1.033  -0.361  1.00  0.00           H  
HETATM   13  H5  UNL     1      -1.688   1.340   1.188  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3    9
CONECT    4    5   10   11
CONECT    5    6    6    7    8
CONECT    7   12
CONECT    8   13
END
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SMILES for HMDB0004110 (Phosphonoacetate)

OC(=O)CP(O)(O)=O
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INCHI for HMDB0004110 (Phosphonoacetate)

InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
FosfonetChEBI
Phosphonoacetic acidKegg
CarboxymethanephosphonateHMDB
Carboxymethanephosphonic acidHMDB
Disodium carboxymethylphosphonateHMDB
Disodium phosphonoacetateHMDB, MeSH
Disodium phosphonoacetate monohydrateHMDB
Fosfonet sodiumHMDB, MeSH
FosfonoacetateHMDB
Fosfonoacetic acidHMDB
Lopac-P-6909HMDB
PAEHMDB
PhosphonacetateHMDB
Phosphonacetic acidHMDB, MeSH
PPAHMDB
Acid, phosphonoaceticMeSH, HMDB
Phosphonoacetate, disodiumMeSH, HMDB
Sodium, fosfonetMeSH, HMDB
Acid, phosphonaceticMeSH, HMDB
PhosphonoacetateChEBI
Chemical FormulaC2H5O5P
Average Molecular Weight140.0319
Monoisotopic Molecular Weight139.987459782
IUPAC Name2-phosphonoacetic acid
Traditional Namephosphonoacetic acid
CAS Registry Number4408-78-0
SMILES
OC(=O)CP(O)(O)=O
InChI Identifier
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChI KeyXUYJLQHKOGNDPB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphonic acids and derivatives
Sub ClassOrganic phosphonic acids
Direct ParentOrganic phosphonic acids
Alternative Parents
Substituents
  • Organophosphonic acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organophosphorus compound
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point143 - 146 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility392 mg/mL at 0 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility25.1 g/LALOGPS
logP-2.6ALOGPS
logP-1.6ChemAxon
logS-0.75ALOGPS
pKa (Strongest Acidic)1.64ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity23.63 m³·mol⁻¹ChemAxon
Polarizability9.63 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+127.36331661259
DarkChem[M-H]-120.031661259
DeepCCS[M+H]+118.93430932474
DeepCCS[M-H]-116.13330932474
DeepCCS[M-2H]-152.6630932474
DeepCCS[M+Na]+127.34330932474
AllCCS[M+H]+131.632859911
AllCCS[M+H-H2O]+127.532859911
AllCCS[M+NH4]+135.432859911
AllCCS[M+Na]+136.532859911
AllCCS[M-H]-123.632859911
AllCCS[M+Na-2H]-126.932859911
AllCCS[M+HCOO]-130.532859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
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, 2022.1.7 minutes32390414
Predicted by Siyang on May 30, 20229.5381 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20229.22 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid439.7 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid553.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid385.8 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid55.3 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid271.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid153.7 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid292.5 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid259.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)848.7 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid618.5 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid41.2 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid694.7 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid242.8 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid390.1 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate761.4 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA525.5 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water493.4 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PhosphonoacetateOC(=O)CP(O)(O)=O2528.4Standard polar33892256
PhosphonoacetateOC(=O)CP(O)(O)=O1216.7Standard non polar33892256
PhosphonoacetateOC(=O)CP(O)(O)=O1378.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Phosphonoacetate,1TMS,isomer #1C[Si](C)(C)OC(=O)CP(=O)(O)O1398.9Semi standard non polar33892256
Phosphonoacetate,1TMS,isomer #2C[Si](C)(C)OP(=O)(O)CC(=O)O1402.2Semi standard non polar33892256
Phosphonoacetate,2TMS,isomer #1C[Si](C)(C)OC(=O)CP(=O)(O)O[Si](C)(C)C1432.0Semi standard non polar33892256
Phosphonoacetate,2TMS,isomer #1C[Si](C)(C)OC(=O)CP(=O)(O)O[Si](C)(C)C1461.7Standard non polar33892256
Phosphonoacetate,2TMS,isomer #1C[Si](C)(C)OC(=O)CP(=O)(O)O[Si](C)(C)C1773.5Standard polar33892256
Phosphonoacetate,2TMS,isomer #2C[Si](C)(C)OP(=O)(CC(=O)O)O[Si](C)(C)C1482.8Semi standard non polar33892256
Phosphonoacetate,2TMS,isomer #2C[Si](C)(C)OP(=O)(CC(=O)O)O[Si](C)(C)C1497.0Standard non polar33892256
Phosphonoacetate,2TMS,isomer #2C[Si](C)(C)OP(=O)(CC(=O)O)O[Si](C)(C)C1680.7Standard polar33892256
Phosphonoacetate,3TMS,isomer #1C[Si](C)(C)OC(=O)CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1497.2Semi standard non polar33892256
Phosphonoacetate,3TMS,isomer #1C[Si](C)(C)OC(=O)CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1534.8Standard non polar33892256
Phosphonoacetate,3TMS,isomer #1C[Si](C)(C)OC(=O)CP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1556.5Standard polar33892256
Phosphonoacetate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O)O1653.7Semi standard non polar33892256
Phosphonoacetate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)CC(=O)O1676.3Semi standard non polar33892256
Phosphonoacetate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O)O[Si](C)(C)C(C)(C)C1868.7Semi standard non polar33892256
Phosphonoacetate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O)O[Si](C)(C)C(C)(C)C1905.9Standard non polar33892256
Phosphonoacetate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O)O[Si](C)(C)C(C)(C)C2028.2Standard polar33892256
Phosphonoacetate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(CC(=O)O)O[Si](C)(C)C(C)(C)C1930.4Semi standard non polar33892256
Phosphonoacetate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(CC(=O)O)O[Si](C)(C)C(C)(C)C1901.9Standard non polar33892256
Phosphonoacetate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(CC(=O)O)O[Si](C)(C)C(C)(C)C1996.6Standard polar33892256
Phosphonoacetate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2116.6Semi standard non polar33892256
Phosphonoacetate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2149.2Standard non polar33892256
Phosphonoacetate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1943.9Standard polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen LocationsNot Available
Tissue Locations
  • Fibroblasts
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB02823
Phenol Explorer Compound IDNot Available
FooDB IDFDB023313
KNApSAcK IDNot Available
Chemspider ID531
KEGG Compound IDC05682
BioCyc IDCPD-764
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID7018
PubChem Compound546
PDB IDPAE
ChEBI ID15732
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceDellinger Douglas J; Sheehan David M; Christensen Nanna K; Lindberg James G; Caruthers Marvin H Solid-phase chemical synthesis of phosphonoacetate and thiophosphonoacetate oligodeoxynucleotides. Journal of the American Chemical Society (2003), 125(4), 940-50.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Abendroth A, Lin I, Slobedman B, Ploegh H, Arvin AM: Varicella-zoster virus retains major histocompatibility complex class I proteins in the Golgi compartment of infected cells. J Virol. 2001 May;75(10):4878-88. [PubMed:11312359 ]
  2. Sairenji T, Hinuma Y, Sekizawa T, Yoshida M: Appearance of early and late components of Epstein-Barr virus-associated membrane antigen in Daudi cells superinfected with P3HR-1 virus. J Gen Virol. 1978 Jan;38(1):111-20. [PubMed:202665 ]