Hmdb loader

Showing metabocard for 2-Amino-2-methyl-1-propanol (HMDB0244974)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:05:29 UTC
Update Date2022-09-22 17:44:19 UTC
HMDB IDHMDB0244974
Secondary Accession NumbersNone
Metabolite Identification
Common Name2-Amino-2-methyl-1-propanol
Description2-Amino-2-methyl-1-propanol belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. Based on a literature review a significant number of articles have been published on 2-Amino-2-methyl-1-propanol. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2-amino-2-methyl-1-propanol is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2-Amino-2-methyl-1-propanol is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0244974 (2-Amino-2-methyl-1-propanol)


  Mrv1572004191602462D          

  6  5  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 N   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
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
Download

3D MOL for HMDB0244974 (2-Amino-2-methyl-1-propanol)

HMDB0244974
     RDKit          3D
2-Amino-2-methyl-1-propanol
 17 16  0  0  0  0  0  0  0  0999 V2000
   -0.3302   -1.2767   -0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    0.0873   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990    0.1121    1.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5713    1.1095   -1.0526 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    0.2148    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226    0.1260   -0.7085 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765   -1.3437   -1.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498   -2.0118   -0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783   -1.4983   -1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -0.9004    1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9283    0.8388    0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    0.4088    2.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    2.0513   -0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    0.9970   -1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761   -0.6084    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.1630    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    0.5307   -0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
M  END
Download

3D SDF for HMDB0244974 (2-Amino-2-methyl-1-propanol)


  Mrv1572004191602462D          

  6  5  0  0  0  0            999 V2000
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.1270    0.0000 N   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
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0244974

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(N)CO

> <INCHI_IDENTIFIER>
InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3

> <INCHI_KEY>
CBTVGIZVANVGBH-UHFFFAOYSA-N

> <FORMULA>
C4H11NO

> <MOLECULAR_WEIGHT>
89.138

> <EXACT_MASS>
89.084063978

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
10.252829714691865

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-2-methylpropan-1-ol

> <ALOGPS_LOGP>
-0.45

> <JCHEM_LOGP>
-0.6184091843333333

> <ALOGPS_LOGS>
0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.802175010315665

> <JCHEM_PKA_STRONGEST_BASIC>
10.037437951171233

> <JCHEM_POLAR_SURFACE_AREA>
46.25

> <JCHEM_REFRACTIVITY>
25.2681

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.07e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-2-methyl-1-propanol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0244974 (2-Amino-2-methyl-1-propanol)

HMDB0244974
     RDKit          3D
2-Amino-2-methyl-1-propanol
 17 16  0  0  0  0  0  0  0  0999 V2000
   -0.3302   -1.2767   -0.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2097    0.0873   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0990    0.1121    1.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5713    1.1095   -1.0526 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    0.2148    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226    0.1260   -0.7085 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765   -1.3437   -1.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498   -2.0118   -0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783   -1.4983   -1.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -0.9004    1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9283    0.8388    0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    0.4088    2.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    2.0513   -0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5824    0.9970   -1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761   -0.6084    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.1630    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    0.5307   -0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
M  END
Download

PDB for HMDB0244974 (2-Amino-2-methyl-1-propanol)

HEADER    PROTEIN                                 19-APR-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-16         0                                  
HETATM    1  C   UNK     0       3.080  -2.667   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.644  -0.564   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       0.976  -2.104   0.000  0.00  0.00           N+0
HETATM    6  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    4                                                            
CONECT    2    4                                                            
CONECT    3    4    6                                                       
CONECT    4    1    2    3    5                                             
CONECT    5    4                                                            
CONECT    6    3                                                            
MASTER        0    0    0    0    0    0    0    0    6    0   10    0
END
Download

3D PDB for HMDB0244974 (2-Amino-2-methyl-1-propanol)

COMPND    HMDB0244974
HETATM    1  C1  UNL     1      -0.330  -1.277  -0.778  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.210   0.087  -0.119  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.099   0.112   1.111  1.00  0.00           C  
HETATM    4  N1  UNL     1      -0.571   1.110  -1.053  1.00  0.00           N  
HETATM    5  C4  UNL     1       1.226   0.215   0.349  1.00  0.00           C  
HETATM    6  O1  UNL     1       2.123   0.126  -0.709  1.00  0.00           O  
HETATM    7  H1  UNL     1       0.377  -1.344  -1.625  1.00  0.00           H  
HETATM    8  H2  UNL     1       0.050  -2.012  -0.017  1.00  0.00           H  
HETATM    9  H3  UNL     1      -1.378  -1.498  -1.068  1.00  0.00           H  
HETATM   10  H4  UNL     1      -1.506  -0.900   1.347  1.00  0.00           H  
HETATM   11  H5  UNL     1      -1.928   0.839   0.908  1.00  0.00           H  
HETATM   12  H6  UNL     1      -0.519   0.409   2.025  1.00  0.00           H  
HETATM   13  H7  UNL     1      -0.440   2.051  -0.674  1.00  0.00           H  
HETATM   14  H8  UNL     1      -1.582   0.997  -1.273  1.00  0.00           H  
HETATM   15  H9  UNL     1       1.476  -0.608   1.048  1.00  0.00           H  
HETATM   16  H10 UNL     1       1.327   1.163   0.914  1.00  0.00           H  
HETATM   17  H11 UNL     1       2.987   0.531  -0.387  1.00  0.00           H  
CONECT    1    2    7    8    9
CONECT    2    3    4    5
CONECT    3   10   11   12
CONECT    4   13   14
CONECT    5    6   15   16
CONECT    6   17
END
Download

SMILES for HMDB0244974 (2-Amino-2-methyl-1-propanol)

CC(C)(N)CO
Download

INCHI for HMDB0244974 (2-Amino-2-methyl-1-propanol)

InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-Amino-2-methyl-1-propanol hydrochlorideHMDB
2-Amino-2-methyl-1-propanol mesylateHMDB
2-Amino-2-methyl-1-propanol nitrate saltHMDB
Aminomethyl propanolHMDB
2-Amino-2-methylpropanolHMDB
2-Amino-2-methyl-1-propanol tosylateHMDB
2-amino-2-Methyl-1-propanolMeSH
Chemical FormulaC4H11NO
Average Molecular Weight89.138
Monoisotopic Molecular Weight89.084063978
IUPAC Name2-amino-2-methylpropan-1-ol
Traditional Name2-amino-2-methyl-1-propanol
CAS Registry NumberNot Available
SMILES
CC(C)(N)CO
InChI Identifier
InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3
InChI KeyCBTVGIZVANVGBH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct Parent1,2-aminoalcohols
Alternative Parents
Substituents
  • 1,2-aminoalcohol
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Primary alcohol
  • Organooxygen compound
  • Primary aliphatic amine
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.45ALOGPS
logP-0.62ChemAxon
logS0.75ALOGPS
pKa (Strongest Acidic)14.8ChemAxon
pKa (Strongest Basic)10.04ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area46.25 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity25.27 m³·mol⁻¹ChemAxon
Polarizability10.25 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
DeepCCS[M+H]+126.80230932474
DeepCCS[M-H]-124.78330932474
DeepCCS[M-2H]-160.34330932474
DeepCCS[M+Na]+134.66730932474
AllCCS[M+H]+122.432859911
AllCCS[M+H-H2O]+118.132859911
AllCCS[M+NH4]+126.532859911
AllCCS[M+Na]+127.732859911
AllCCS[M-H]-127.932859911
AllCCS[M+Na-2H]-132.732859911
AllCCS[M+HCOO]-137.932859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20228.6094 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.77 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid528.0 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid316.4 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid60.4 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid196.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid50.8 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid282.5 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 Acid233.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)594.0 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid567.5 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid35.8 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid628.8 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid189.2 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid231.6 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate567.4 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA455.1 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water246.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-Amino-2-methyl-1-propanolCC(C)(N)CO1446.0Standard polar33892256
2-Amino-2-methyl-1-propanolCC(C)(N)CO734.5Standard non polar33892256
2-Amino-2-methyl-1-propanolCC(C)(N)CO739.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-Amino-2-methyl-1-propanol,2TMS,isomer #1CC(C)(CO[Si](C)(C)C)N[Si](C)(C)C1089.8Semi standard non polar33892256
2-Amino-2-methyl-1-propanol,2TMS,isomer #1CC(C)(CO[Si](C)(C)C)N[Si](C)(C)C1121.9Standard non polar33892256
2-Amino-2-methyl-1-propanol,2TMS,isomer #1CC(C)(CO[Si](C)(C)C)N[Si](C)(C)C1038.8Standard polar33892256
2-Amino-2-methyl-1-propanol,2TMS,isomer #2CC(C)(CO)N([Si](C)(C)C)[Si](C)(C)C1211.9Semi standard non polar33892256
2-Amino-2-methyl-1-propanol,2TMS,isomer #2CC(C)(CO)N([Si](C)(C)C)[Si](C)(C)C1221.6Standard non polar33892256
2-Amino-2-methyl-1-propanol,2TMS,isomer #2CC(C)(CO)N([Si](C)(C)C)[Si](C)(C)C1323.1Standard polar33892256
2-Amino-2-methyl-1-propanol,3TMS,isomer #1CC(C)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1344.1Semi standard non polar33892256
2-Amino-2-methyl-1-propanol,3TMS,isomer #1CC(C)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1325.1Standard non polar33892256
2-Amino-2-methyl-1-propanol,3TMS,isomer #1CC(C)(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1159.7Standard polar33892256
2-Amino-2-methyl-1-propanol,2TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C1512.9Semi standard non polar33892256
2-Amino-2-methyl-1-propanol,2TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C1550.4Standard non polar33892256
2-Amino-2-methyl-1-propanol,2TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C1364.0Standard polar33892256
2-Amino-2-methyl-1-propanol,2TBDMS,isomer #2CC(C)(CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1615.7Semi standard non polar33892256
2-Amino-2-methyl-1-propanol,2TBDMS,isomer #2CC(C)(CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1649.0Standard non polar33892256
2-Amino-2-methyl-1-propanol,2TBDMS,isomer #2CC(C)(CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1519.1Standard polar33892256
2-Amino-2-methyl-1-propanol,3TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1944.9Semi standard non polar33892256
2-Amino-2-methyl-1-propanol,3TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1977.8Standard non polar33892256
2-Amino-2-methyl-1-propanol,3TBDMS,isomer #1CC(C)(CO[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1548.5Standard polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID13835861
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAminomethyl propanol
METLIN IDNot Available
PubChem Compound11807
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]