Afb1-gsh conjugate
Molecular Formula:
C27H29N3O13S
InChI: InChI=1/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-/m0/s1/f/h29-30,33,37H
InChIKey: InChIKey=LYDBAPNRLUDIAS-GUTSQYGXDK
SMILES: [H][C@]12O[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@H](O)[C@@]1([H])c3c(O2)cc(OC)c4C5=C(C(=O)CC5)C(=O)Oc34
Names:
Afb(1)-gsh
Afb1-gsh conjugate
Aflatoxin B1exo-8,9-epoxide-GSH
aflatoxin B1 exo-8,9-epoxide‒GSH
8,9-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1
8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1
Registries:
PubChem CID 5486953
ChEBI 2505
Kegg C11278
PubChem ID 11694136
PubChem ID 13455
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