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acetaminophen glutathione conjugate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2629

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	6

formula

C₁₈H₂₄N₄O₈S

charge

mass

456.13148

reference

chebi:32639

InChIKey

VFNAXGMNFCUWCI-RYUDHWBXSA-N

InChI

InChI=1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1

SMILES

CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-158549 reactomeM:R-ALL-158549 reactome:R-ALL-177721 reactomeM:R-ALL-177721 CHEBI:32639 chebi:32639	acetaminophen glutathione conjugate 3-(Glutathion-S-yl)acetaminophen AA-Glutathion AA-Gsh Acetaminophen glutathion Glutathione-S-acetaminophen conjugate L-gamma-glutamyl-S-(5-acetamido-2-hydroxyphenyl)-L-cysteinylglycine
bigg.metabolite:acmpglut biggM:acmpglut	Acetaminophen-glutathione-conjugate
biggM:M_acmpglut	secondary/obsolete/fantasy identifier