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

ChEBI IDCHEBI:34959
ChEBI NameS-(2-Chloroacetyl)glutathione
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC12H18ClN3O7S
Net Charge0
Average Mass383.810
Monoisotopic Mass383.05540
SMILESN[C@@H](CCC(=O)N[C@@H](CSC(=O)CCl)C(=O)NCC(=O)O)C(=O)O
InChIInChI=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
InChIKeyQJDRMMRBPVHMAD-BQBZGAKWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
S-(2-Chloroacetyl)glutathione (CHEBI:34959) is a peptide (CHEBI:16670)
Synonym  Source
S-(2-Chloroacetyl)glutathioneKEGG COMPOUND
Manual XrefsDatabases
C14864KEGG COMPOUND
HMDB0060505HMDB
Registry NumbersSources
CAS:113668-38-5KEGG COMPOUND