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CHEBI:182765 - S-(2-Chloroethyl)glutathione

ChEBI IDCHEBI:182765
ChEBI NameS-(2-Chloroethyl)glutathione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20ClN3O6S
Net Charge0
Average Mass369.827
Monoisotopic Mass369.07613
SMILESN[C@@H](CCC(=O)N[C@@H](CSCCCl)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C12H20ClN3O6S/c13-3-4-23-6-8(11(20)15-5-10(18)19)16-9(17)2-1-7(14)12(21)22/h7-8H,1-6,14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1
InChIKeyKJTFFUUCBPMUPH-YUMQZZPRSA-N
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-Chloroethyl)glutathione (CHEBI:182765) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylsulanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
C20304KEGG COMPOUND
20087397ChemSpider
Registry NumbersSources
CAS:75607-61-3ChemIDplus