CHEBI:34959 - S-(2-Chloroacetyl)glutathione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-(2-Chloroacetyl)glutathione
ChEBI ID CHEBI:34959
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H18ClN3O7S
Net Charge 0
Average Mass 383.807
Monoisotopic Mass 383.05540
InChI InChI=1S/C12H18ClN3O7S/c13-3-10(20)24-5-7(11(21)15-4-9(18)19)16-8(17)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t6-,7-/m0/s1
InChIKey QJDRMMRBPVHMAD-BQBZGAKWSA-N
SMILES N[C@@H](CCC(=O)N[C@@H](CSC(=O)CCl)C(=O)NCC(O)=O)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing S-(2-Chloroacetyl)glutathione (CHEBI:34959) is a peptide (CHEBI:16670)
Synonym Source
S-(2-Chloroacetyl)glutathione KEGG COMPOUND
Manual Xrefs Databases
C14864 KEGG COMPOUND
HMDB0060505 HMDB
View more database links
Registry Number Type Source
113668-38-5 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016