CHEBI:133880 - S-(4-oxobutan-2-yl)glutathione

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ChEBI Name S-(4-oxobutan-2-yl)glutathione ChEBI ID CHEBI:133880 ChEBI ASCII Name S-(4-oxobutan-2-yl)glutathione Definition A glutathione conjugate that is the product of a glutathione conjugate addition reaction with crotonaldehyde. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H23N3O7S Net Charge 0 Average Mass 377.415 Monoisotopic Mass 377.12567 InChI InChI=1S/C14H23N3O7S/c1-8(4-5-18)25-7-10(13(22)16-6-12(20)21)17-11(19)3-2-9(15)14(23)24/h5,8-10H,2-4,6-7,15H2,1H3,(H,16,22)(H,17,19)(H,20,21)(H,23,24)/t8?,9-,10-/m0/s1 InChIKey KEQTTYRWDJQWAB-AGROOBSYSA-N SMILES [C@H](C(NCC(=O)O)=O)(NC(CC[C@@H](C(=O)O)N)=O)CSC(CC(=O)[H])C ChEBI Ontology Outgoing S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) has functional parent crotonaldehyde (CHEBI:41607) S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) is a S-substituted glutathione (CHEBI:17021) S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) is a aldehyde (CHEBI:17478) S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) is a glutathione conjugate (CHEBI:24335) S-(4-oxobutan-2-yl)glutathione (CHEBI:133880) is a organic sulfide (CHEBI:16385) IUPAC Names glutathione-crotonaldehyde conjugate L-γ-glutamyl-S-(4-oxobutan-2-yl)-L-cysteinylglycine Synonym Source butanalglutathione ChEBI Registry Number Type Source 6087321 Reaxys Registry Number Reaxys Citation Type Source 24756107 PubMed citation SUBMITTER Last Modified 20 July 2018