Feedback

8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1

Properties

Image

Occurences in reactions

MNX_ID

MNXM3887

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₇H₂₉N₃O₁₃S

charge

mass

635.14211

reference

chebi:2505

InChIKey

LYDBAPNRLUDIAS-GPQHGYBDSA-N

InChI

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-/m0/s1

SMILES

COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1[C@@H](O2)O[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-159214 reactomeM:R-ALL-159214 CHEBI:2505 chebi:2505	8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 8,9-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 Afb(1)-gsh Afb1-gsh conjugate Aflatoxin B1exo-8,9-epoxide-GSH L-gamma-glutamyl-S-{(6aS,8S,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl}-L-cysteinylglycine aflatoxin B1 exo-8,9-epoxide-GSH