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CHEBI:133877 - S-(chloromethyl)glutathione(1−)

ChEBI IDCHEBI:133877
ChEBI NameS-(chloromethyl)glutathione(1−)
Stars
ASCII NameS-(chloromethyl)glutathione(1-)
DefinitionA peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-(chloromethyl)glutathione; major species at pH 7.3.
Last Modified6 March 2017
Submittergemma
DownloadsMolfile
FormulaC11H17ClN3O6S
Net Charge-1
Average Mass354.792
Monoisotopic Mass354.05321
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CSCCl)C(=O)NCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C11H18ClN3O6S/c12-5-22-4-7(10(19)14-3-9(17)18)15-8(16)2-1-6(13)11(20)21/h6-7H,1-5,13H2,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/p-1/t6-,7-/m0/s1
InChIKeyCHJNQYVYXPYGEW-BQBZGAKWSA-M
ChEBI Ontology
Outgoing Relation(s)
S-(chloromethyl)glutathione(1−) (CHEBI:133877) is a peptide anion (CHEBI:60334)
S-(chloromethyl)glutathione(1−) (CHEBI:133877) is conjugate base of S-(chloromethyl)glutathione (CHEBI:136417)
Incoming Relation(s)
S-(chloromethyl)glutathione (CHEBI:136417) is conjugate acid of S-(chloromethyl)glutathione(1−) (CHEBI:133877)
IUPAC Name 
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(chloromethyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate
Synonym  Source
chloromethylglutathione(1−)ChEBI
Citations