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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:20:23 UTC
Update Date2022-03-07 03:17:44 UTC
HMDB IDHMDB0060431
Secondary Accession Numbers
  • HMDB60431
Metabolite Identification
Common NameAflatoxin B1exo-8,9-epoxide-GSH
DescriptionAflatoxin B1exo-8,9-epoxide-GSH belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton. Thus, aflatoxin b1Exo-8,9-epoxide-GSH is considered to be an aflatoxin lipid molecule. Aflatoxin B1exo-8,9-epoxide-GSH is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Aflatoxin B1exo-8,9-epoxide-GSH exists in all living organisms, ranging from bacteria to humans. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton.
Structure
Data?1563866059
Synonyms
ValueSource
8,9-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin b1Kegg
Chemical FormulaC27H29N3O13S
Average Molecular Weight635.596
Monoisotopic Molecular Weight635.142108719
IUPAC Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(4R,5S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,⁹.0³,⁷.0¹³,¹⁷]nonadeca-1(12),2(9),10,13(17)-tetraen-5-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Traditional NameAFB1-gsh conjugate
CAS Registry NumberNot Available
SMILES
COC1=CC2=C(C3[C@@H](O)[C@@H](OC3O2)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O)C2=C1C1=C(C(=O)CC1)C(=O)O2
InChI Identifier
InChI=1S/C27H29N3O13S/c1-40-13-6-14-19(22-18(13)9-2-4-12(31)17(9)25(39)42-22)20-21(35)27(43-26(20)41-14)44-8-11(23(36)29-7-16(33)34)30-15(32)5-3-10(28)24(37)38/h6,10-11,20-21,26-27,35H,2-5,7-8,28H2,1H3,(H,29,36)(H,30,32)(H,33,34)(H,37,38)/t10?,11?,20?,21-,26?,27+/m1/s1
InChI KeyLYDBAPNRLUDIAS-NCQSKUNESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as difurocoumarocyclopentenones. These are polycyclic aromatic compounds containing a cyclopenten-2-one ring fused to the coumarin moiety of the difurocoumarin skeleton.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
Sub ClassFuranocoumarins
Direct ParentDifurocoumarocyclopentenones
Alternative Parents
Substituents
  • Difurocoumarocyclopentenone
  • Difurocoumarin
  • Benzopyran
  • 1-benzopyran
  • Coumaran
  • Anisole
  • Aryl alkyl ketone
  • Aryl ketone
  • Alkyl aryl ether
  • Pyranone
  • Pyran
  • Benzenoid
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Secondary alcohol
  • Lactone
  • Ketone
  • Hemiacetal
  • Acetal
  • Organoheterocyclic compound
  • Ether
  • Oxacycle
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
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
Water Solubility0.098 g/LALOGPS
logP-1ALOGPS
logP-2.4ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)1.8ChemAxon
pKa (Strongest Basic)9.54ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area257.09 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity147.31 m³·mol⁻¹ChemAxon
Polarizability62.24 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+242.04431661259
DarkChem[M-H]-230.21331661259
DeepCCS[M+H]+237.50830932474
DeepCCS[M-H]-235.61330932474
DeepCCS[M-2H]-268.85330932474
DeepCCS[M+Na]+243.34330932474
AllCCS[M+H]+229.732859911
AllCCS[M+H-H2O]+228.932859911
AllCCS[M+NH4]+230.332859911
AllCCS[M+Na]+230.532859911
AllCCS[M-H]-224.132859911
AllCCS[M+Na-2H]-226.332859911
AllCCS[M+HCOO]-228.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Aflatoxin B1exo-8,9-epoxide-GSHCOC1=CC2=C(C3[C@@H](O)[C@@H](OC3O2)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O)C2=C1C1=C(C(=O)CC1)C(=O)O25309.4Standard polar33892256
Aflatoxin B1exo-8,9-epoxide-GSHCOC1=CC2=C(C3[C@@H](O)[C@@H](OC3O2)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O)C2=C1C1=C(C(=O)CC1)C(=O)O24626.5Standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSHCOC1=CC2=C(C3[C@@H](O)[C@@H](OC3O2)SCC(N=C(O)CCC(N)C(O)=O)C(O)=NCC(O)=O)C2=C1C1=C(C(=O)CC1)C(=O)O25620.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aflatoxin B1exo-8,9-epoxide-GSH,1TMS,isomer #1COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C5331.9Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TMS,isomer #2COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5299.2Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TMS,isomer #3COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5269.8Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TMS,isomer #4COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O5315.1Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TMS,isomer #5COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O5313.0Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TMS,isomer #6COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(O)=NCC(=O)O)[C@@H]1O5374.0Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #1COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C5200.5Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #10COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O5157.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #11COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O5158.3Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #12COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5229.9Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #13COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O5179.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #14COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O5264.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #15COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O5248.1Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #16COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5397.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #2COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C5168.3Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #3COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5216.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #4COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5204.5Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #5COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C5283.3Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #6COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5170.9Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #7COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O5200.9Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #8COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O5191.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TMS,isomer #9COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5254.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #1COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C5071.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #10COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5165.5Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #11COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C5286.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #12COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O5063.8Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #13COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O5077.0Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #14COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5136.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #15COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O5088.5Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #16COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O5161.5Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #17COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O5157.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #18COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5258.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #19COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O5038.8Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #2COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5101.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #20COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O5120.5Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #21COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O5130.1Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #22COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5263.8Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #23COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O5143.0Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #24COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O5248.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #25COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O5252.3Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #3COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5102.2Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #4COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C5173.0Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #5COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5062.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #6COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5068.2Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #7COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C5137.3Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #8COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5087.1Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,3TMS,isomer #9COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C5179.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TBDMS,isomer #1COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C5514.8Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TBDMS,isomer #2COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5481.2Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TBDMS,isomer #3COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5482.4Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TBDMS,isomer #4COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5497.8Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TBDMS,isomer #5COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5533.7Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,1TBDMS,isomer #6COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(O)=NCC(=O)O)[C@@H]1O5589.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #1COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C5565.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #10COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5559.4Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #11COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5591.4Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #12COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5612.2Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #13COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O5594.4Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #14COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5640.4Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #15COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5661.3Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #16COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5778.2Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #2COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C5556.4Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #3COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C5580.8Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #4COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C5613.6Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #5COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(O)=NCC(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C5636.8Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #6COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5551.1Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #7COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(=NCC(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5583.4Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #8COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O[Si](C)(C)C(C)(C)C)[C@@H]1O5594.0Semi standard non polar33892256
Aflatoxin B1exo-8,9-epoxide-GSH,2TBDMS,isomer #9COC1=CC2=C(C3=C1C1=C(C(=O)CC1)C(=O)O3)C1C(O2)O[C@@H](SCC(N=C(CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)C(O)=NCC(=O)O)[C@@H]1O5630.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (Non-derivatized) - 70eV, Positivesplash10-000f-2094072000-9ba0e64a01fa7ac4fb012017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH 10V, Positive-QTOFsplash10-074l-3194033000-8f4dd080c180a47144082017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH 20V, Positive-QTOFsplash10-00di-9024250000-c63cf149b7dddf6b24be2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH 40V, Positive-QTOFsplash10-00di-8292000000-004edc8b42d2367eae6c2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH 10V, Negative-QTOFsplash10-0a5i-0198034000-51b923050e79a983319f2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH 20V, Negative-QTOFsplash10-05di-0395011000-e77719bcfbd5d2da7b272017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aflatoxin B1exo-8,9-epoxide-GSH 40V, Negative-QTOFsplash10-0095-5396000000-efeebac178f1f80f01132017-10-06Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
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 IDC11278
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5460816
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDM01299
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Only showing the first 10 proteins. There are 18 proteins in total.

Enzymes

General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM2
Uniprot ID:
P28161
Molecular weight:
25744.395
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM1
Uniprot ID:
P09488
Molecular weight:
25711.555
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in glutathione transferase activity
Specific function:
Also functions as a glutathione peroxidase.
Gene Name:
MGST3
Uniprot ID:
O14880
Molecular weight:
16516.185
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. May govern uptake and detoxification of both endogenous compounds and xenobiotics at the testis and brain blood barriers.
Gene Name:
GSTM3
Uniprot ID:
P21266
Molecular weight:
26559.32
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTA1
Uniprot ID:
P08263
Molecular weight:
25630.785
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Has a wide substrate specificity.
Gene Name:
MGST1
Uniprot ID:
P10620
Molecular weight:
17598.45
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Active on 1-chloro-2,4-dinitrobenzene.
Gene Name:
GSTM4
Uniprot ID:
Q03013
Molecular weight:
25561.095
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in glutathione transferase activity
Specific function:
Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles.
Gene Name:
GSTM5
Uniprot ID:
P46439
Molecular weight:
25674.455
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in enzyme activator activity
Specific function:
Can catalyze the production of LTC4 from LTA4 and reduced glutathione. Can catalyze the conjugation of 1-chloro-2,4-dinitrobenzene with reduced glutathione.
Gene Name:
MGST2
Uniprot ID:
Q99735
Molecular weight:
16620.4
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails
General function:
Involved in glutathione transferase activity
Specific function:
Exhibits glutathione-dependent thiol transferase and dehydroascorbate reductase activities. Has S-(phenacyl)glutathione reductase activity. Has also glutathione S-transferase activity. Participates in the biotransformation of inorganic arsenic and reduces monomethylarsonic acid (MMA) and dimethylarsonic acid.
Gene Name:
GSTO1
Uniprot ID:
P78417
Molecular weight:
27565.6
Reactions
2,3-Epoxyaflatoxin B1 + Glutathione → Aflatoxin B1exo-8,9-epoxide-GSHdetails

Only showing the first 10 proteins. There are 18 proteins in total.