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Showing metabocard for Methylcarbamic acid (HMDB0254626)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 14:00:27 UTC
Update Date2021-09-26 23:08:44 UTC
HMDB IDHMDB0254626
Secondary Accession NumbersNone
Metabolite Identification
Common NameMethylcarbamic acid
Descriptionmethylcarbamic acid, also known as N-methylcarbamate, belongs to the class of organic compounds known as organic carbonic acids and derivatives. Organic carbonic acids and derivatives are compounds comprising the organic carbonic acid or a derivative thereof. methylcarbamic acid is a weakly acidic compound (based on its pKa). An amino acid consisting of carbamic acid having an N-methyl substituent. This compound has been identified in human blood as reported by (PMID: 31557052 ). Methylcarbamic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Methylcarbamic acid 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0254626 (Methylcarbamic acid)


  Mrv0541 05041410312D          

  5  4  0  0  0  0            999 V2000
    0.8250    1.4289    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    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
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
M  END
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3D MOL for HMDB0254626 (Methylcarbamic acid)

HMDB0254626
     RDKit          3D
Methylcarbamic acid
 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.3944    0.3778    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716    0.0923   -0.4607 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449   -0.4907    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013   -0.7693    1.3724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0767   -0.7493   -0.5696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0818    0.6302    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9281    1.2010   -0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -0.5681    0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506    0.3281   -1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588   -0.0520   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  5 10  1  0
M  END
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3D SDF for HMDB0254626 (Methylcarbamic acid)


  Mrv0541 05041410312D          

  5  4  0  0  0  0            999 V2000
    0.8250    1.4289    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    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
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0254626

> <DATABASE_NAME>
hmdb

> <SMILES>
CNC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)

> <INCHI_KEY>
UFEJKYYYVXYMMS-UHFFFAOYSA-N

> <FORMULA>
C2H5NO2

> <MOLECULAR_WEIGHT>
75.0666

> <EXACT_MASS>
75.032028409

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
6.651262219039158

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methylcarbamic acid

> <ALOGPS_LOGP>
-0.67

> <JCHEM_LOGP>
-0.3332151823333333

> <ALOGPS_LOGS>
0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.192635384442922

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
16.217100000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.21e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbamic acid, methyl-

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0254626 (Methylcarbamic acid)

HMDB0254626
     RDKit          3D
Methylcarbamic acid
 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.3944    0.3778    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716    0.0923   -0.4607 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9449   -0.4907    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9013   -0.7693    1.3724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0767   -0.7493   -0.5696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0818    0.6302    1.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9281    1.2010   -0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9552   -0.5681    0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1506    0.3281   -1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7588   -0.0520   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  5 10  1  0
M  END
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PDB for HMDB0254626 (Methylcarbamic acid)

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    4  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    3    4    5                                                  
CONECT    3    1    2                                                       
CONECT    4    2                                                            
CONECT    5    2                                                            
MASTER        0    0    0    0    0    0    0    0    5    0    8    0
END
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3D PDB for HMDB0254626 (Methylcarbamic acid)

COMPND    HMDB0254626
HETATM    1  C1  UNL     1      -1.394   0.378   0.304  1.00  0.00           C  
HETATM    2  N1  UNL     1      -0.172   0.092  -0.461  1.00  0.00           N  
HETATM    3  C2  UNL     1       0.945  -0.491   0.161  1.00  0.00           C  
HETATM    4  O1  UNL     1       0.901  -0.769   1.372  1.00  0.00           O  
HETATM    5  O2  UNL     1       2.077  -0.749  -0.570  1.00  0.00           O  
HETATM    6  H1  UNL     1      -1.082   0.630   1.340  1.00  0.00           H  
HETATM    7  H2  UNL     1      -1.928   1.201  -0.203  1.00  0.00           H  
HETATM    8  H3  UNL     1      -1.955  -0.568   0.343  1.00  0.00           H  
HETATM    9  H4  UNL     1      -0.151   0.328  -1.460  1.00  0.00           H  
HETATM   10  H5  UNL     1       2.759  -0.052  -0.828  1.00  0.00           H  
CONECT    1    2    6    7    8
CONECT    2    3    9
CONECT    3    4    4    5
CONECT    5   10
END
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SMILES for HMDB0254626 (Methylcarbamic acid)

CNC(O)=O
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INCHI for HMDB0254626 (Methylcarbamic acid)

InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
MethylcarbamidsaeureChEBI
Monomethyl carbamateChEBI
N-MethylcarbamateChEBI
N-Methylcarbamic acidChEBI
Monomethyl carbamic acidGenerator
MethylcarbamateGenerator
N-Methylcarbamate, sodium saltMeSH
Chemical FormulaC2H5NO2
Average Molecular Weight75.0666
Monoisotopic Molecular Weight75.032028409
IUPAC Namemethylcarbamic acid
Traditional Namecarbamic acid, methyl-
CAS Registry NumberNot Available
SMILES
CNC(O)=O
InChI Identifier
InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)
InChI KeyUFEJKYYYVXYMMS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as organic carbonic acids and derivatives. Organic carbonic acids and derivatives are compounds comprising the organic carbonic acid or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassNot Available
Direct ParentOrganic carbonic acids and derivatives
Alternative Parents
Substituents
  • Carbonic acid derivative
  • Carbamic acid derivative
  • Carbamic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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-0.67ALOGPS
logP-0.33ChemAxon
logS0.75ALOGPS
pKa (Strongest Acidic)4.19ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area49.33 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity16.22 m³·mol⁻¹ChemAxon
Polarizability6.65 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]+125.90630932474
DeepCCS[M-H]-123.44230932474
DeepCCS[M-2H]-159.75230932474
DeepCCS[M+Na]+134.15830932474
AllCCS[M+H]+125.432859911
AllCCS[M+H-H2O]+121.132859911
AllCCS[M+NH4]+129.532859911
AllCCS[M+Na]+130.732859911
AllCCS[M-H]-128.832859911
AllCCS[M+Na-2H]-134.532859911
AllCCS[M+HCOO]-140.832859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20228.6288 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20224.66 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid639.2 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid356.8 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid86.2 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid259.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid98.3 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid267.8 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 Acid256.1 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)616.8 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid582.3 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid54.5 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid780.5 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid224.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid289.2 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate623.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA324.6 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water289.2 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Methylcarbamic acidCNC(O)=O2015.7Standard polar33892256
Methylcarbamic acidCNC(O)=O902.2Standard non polar33892256
Methylcarbamic acidCNC(O)=O984.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Methylcarbamic acid,2TMS,isomer #1CN(C(=O)O[Si](C)(C)C)[Si](C)(C)C1092.0Semi standard non polar33892256
Methylcarbamic acid,2TMS,isomer #1CN(C(=O)O[Si](C)(C)C)[Si](C)(C)C1089.0Standard non polar33892256
Methylcarbamic acid,2TMS,isomer #1CN(C(=O)O[Si](C)(C)C)[Si](C)(C)C1068.2Standard polar33892256
Methylcarbamic acid,2TBDMS,isomer #1CN(C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1511.9Semi standard non polar33892256
Methylcarbamic acid,2TBDMS,isomer #1CN(C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1497.2Standard non polar33892256
Methylcarbamic acid,2TBDMS,isomer #1CN(C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1396.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Methylcarbamic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0059-9000000000-8ee7b6acf0b3ef1a49e02021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methylcarbamic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methylcarbamic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methylcarbamic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methylcarbamic acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methylcarbamic acid GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methylcarbamic acid 10V, Positive-QTOFsplash10-0a4i-9000000000-13480378ef45df0bc7d72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methylcarbamic acid 20V, Positive-QTOFsplash10-0a4i-9000000000-13480378ef45df0bc7d72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methylcarbamic acid 40V, Positive-QTOFsplash10-0a4i-9000000000-13480378ef45df0bc7d72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methylcarbamic acid 10V, Negative-QTOFsplash10-00di-9000000000-b53f0967ebe2b0fd9c702021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methylcarbamic acid 20V, Negative-QTOFsplash10-05fr-9000000000-fa5534ede1dc8eb56c6f2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methylcarbamic acid 40V, Negative-QTOFsplash10-05fr-9000000000-f365346a9400fdfca92f2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound30536
PDB IDRGI
ChEBI ID45379
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 ]