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Showing metabocard for 4-Mercaptopyridine (HMDB0246488)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 23:30:24 UTC
Update Date2021-09-26 22:55:36 UTC
HMDB IDHMDB0246488
Secondary Accession NumbersNone
Metabolite Identification
Common Name4-Mercaptopyridine
Description4-Mercaptopyridine belongs to the class of organic compounds known as dihydropyridines. Dihydropyridines are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds. Based on a literature review a significant number of articles have been published on 4-Mercaptopyridine. This compound has been identified in human blood as reported by (PMID: 31557052 ). 4-mercaptopyridine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 4-Mercaptopyridine 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 HMDB0246488 (4-Mercaptopyridine)


  Mrv1652309112101302D          

  7  7  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
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3D MOL for HMDB0246488 (4-Mercaptopyridine)

HMDB0246488
     RDKit          3D
4-Mercaptopyridine
 12 12  0  0  0  0  0  0  0  0999 V2000
    2.9790   -0.0510    0.0087 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503    0.0014    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    1.1786   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7244    1.1352   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.0001   -0.0026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644   -1.1494    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162   -1.1725    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    2.1120   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395    2.1055   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838    0.0369   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3068   -2.0685    0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440   -2.1284    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  3  8  1  0
  4  9  1  0
  5 10  1  0
  6 11  1  0
  7 12  1  0
M  END
Download

3D SDF for HMDB0246488 (4-Mercaptopyridine)


  Mrv1652309112101302D          

  7  7  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0246488

> <DATABASE_NAME>
hmdb

> <SMILES>
S=C1C=CNC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)

> <INCHI_KEY>
FHTDDANQIMVWKZ-UHFFFAOYSA-N

> <FORMULA>
C5H5NS

> <MOLECULAR_WEIGHT>
111.16

> <EXACT_MASS>
111.014270339

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
11.410951366658448

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,4-dihydropyridine-4-thione

> <ALOGPS_LOGP>
-0.21

> <JCHEM_LOGP>
1.163621235

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.19787456935501

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3309800099032945

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
35.607299999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.53e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4(1H)-pyridinethione

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0246488 (4-Mercaptopyridine)

HMDB0246488
     RDKit          3D
4-Mercaptopyridine
 12 12  0  0  0  0  0  0  0  0999 V2000
    2.9790   -0.0510    0.0087 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503    0.0014    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    1.1786   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7244    1.1352   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4375    0.0001   -0.0026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644   -1.1494    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162   -1.1725    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    2.1120   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2395    2.1055   -0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838    0.0369   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3068   -2.0685    0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440   -2.1284    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  3  8  1  0
  4  9  1  0
  5 10  1  0
  6 11  1  0
  7 12  1  0
M  END
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PDB for HMDB0246488 (4-Mercaptopyridine)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.334  -0.770   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0       1.334   3.850   0.000  0.00  0.00           S+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   14    0
END
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3D PDB for HMDB0246488 (4-Mercaptopyridine)

COMPND    HMDB0246488
HETATM    1  S1  UNL     1       2.979  -0.051   0.009  1.00  0.00           S  
HETATM    2  C1  UNL     1       1.350   0.001   0.002  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.650   1.179  -0.075  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.724   1.135  -0.075  1.00  0.00           C  
HETATM    5  N1  UNL     1      -1.438   0.000  -0.003  1.00  0.00           N  
HETATM    6  C4  UNL     1      -0.764  -1.149   0.073  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.616  -1.173   0.077  1.00  0.00           C  
HETATM    8  H1  UNL     1       1.217   2.112  -0.135  1.00  0.00           H  
HETATM    9  H2  UNL     1      -1.240   2.105  -0.139  1.00  0.00           H  
HETATM   10  H3  UNL     1      -2.484   0.037  -0.007  1.00  0.00           H  
HETATM   11  H4  UNL     1      -1.307  -2.069   0.132  1.00  0.00           H  
HETATM   12  H5  UNL     1       1.144  -2.128   0.140  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    7
CONECT    3    4    4    8
CONECT    4    5    9
CONECT    5    6   10
CONECT    6    7    7   11
CONECT    7   12
END
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SMILES for HMDB0246488 (4-Mercaptopyridine)

S=C1C=CNC=C1
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INCHI for HMDB0246488 (4-Mercaptopyridine)

InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC5H5NS
Average Molecular Weight111.16
Monoisotopic Molecular Weight111.014270339
IUPAC Name1,4-dihydropyridine-4-thione
Traditional Name4(1H)-pyridinethione
CAS Registry NumberNot Available
SMILES
S=C1C=CNC=C1
InChI Identifier
InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChI KeyFHTDDANQIMVWKZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dihydropyridines. Dihydropyridines are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassHydropyridines
Direct ParentDihydropyridines
Alternative Parents
Substituents
  • Dihydropyridine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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-0.21ALOGPS
logP1.16ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)16.2ChemAxon
pKa (Strongest Basic)-2.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.03 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity35.61 m³·mol⁻¹ChemAxon
Polarizability11.41 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+121.55230932474
DeepCCS[M-H]-119.28330932474
DeepCCS[M-2H]-155.22830932474
DeepCCS[M+Na]+130.0130932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20229.4536 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20221.01 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid661.6 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid380.6 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid79.1 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid267.0 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid158.9 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid265.7 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 Acid267.7 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)631.0 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid638.1 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid43.9 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid684.2 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid256.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid392.8 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate744.1 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA335.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water306.4 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4-MercaptopyridineS=C1C=CNC=C11924.2Standard polar33892256
4-MercaptopyridineS=C1C=CNC=C11063.3Standard non polar33892256
4-MercaptopyridineS=C1C=CNC=C11313.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4-Mercaptopyridine,1TMS,isomer #1C[Si](C)(C)N1C=CC(=S)C=C11382.9Semi standard non polar33892256
4-Mercaptopyridine,1TMS,isomer #1C[Si](C)(C)N1C=CC(=S)C=C11387.9Standard non polar33892256
4-Mercaptopyridine,1TMS,isomer #1C[Si](C)(C)N1C=CC(=S)C=C11610.2Standard polar33892256
4-Mercaptopyridine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C=CC(=S)C=C11648.4Semi standard non polar33892256
4-Mercaptopyridine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C=CC(=S)C=C11619.9Standard non polar33892256
4-Mercaptopyridine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C=CC(=S)C=C11771.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 4-Mercaptopyridine GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9800000000-60d9b1b3c7e59e77fac22021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 4-Mercaptopyridine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Mercaptopyridine 10V, Positive-QTOFsplash10-03di-0900000000-0e787e112dfa8e771f852021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Mercaptopyridine 20V, Positive-QTOFsplash10-03di-7900000000-bf96342ef148449d21012021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Mercaptopyridine 40V, Positive-QTOFsplash10-03yl-9300000000-e76b86a8f6fb6e7772eb2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Mercaptopyridine 10V, Negative-QTOFsplash10-03di-0900000000-6a0cec2dc058adc748602021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Mercaptopyridine 20V, Negative-QTOFsplash10-03di-0900000000-6a0cec2dc058adc748602021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4-Mercaptopyridine 40V, Negative-QTOFsplash10-001i-9100000000-9f68b7bc241bd832ccc12021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart 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 ID2006071
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link2-Mercaptopyridine
METLIN IDNot Available
PubChem Compound20690
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 ]