CHEBI:32639 - acetaminophen glutathione conjugate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetaminophen glutathione conjugate
ChEBI ID CHEBI:32639
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H24N4O8S
Net Charge 0
Average Mass 456.47132
Monoisotopic Mass 456.13148
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
InChIKey VFNAXGMNFCUWCI-RYUDHWBXSA-N
SMILES CC(=O)Nc1ccc(O)c(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)c1
ChEBI Ontology
Outgoing acetaminophen glutathione conjugate (CHEBI:32639) has functional parent paracetamol (CHEBI:46195)
acetaminophen glutathione conjugate (CHEBI:32639) is a glutathione derivative (CHEBI:24337)
IUPAC Name
L-γ-glutamyl-S-(5-acetamido-2-hydroxyphenyl)-L-cysteinylglycine
Synonyms Sources
3-(Glutathion-S-yl)acetaminophen ChemIDplus
AA-Glutathion ChemIDplus
AA-Gsh ChemIDplus
Acetaminophen glutathion ChemIDplus
Glutathione-S-acetaminophen conjugate ChemIDplus
Last Modified
11 August 2008