S-(2,2-Dichloro-1-hydroxy)ethyl glutathione (CHEBI:34958)

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CHEBI:34958 - S-(2,2-Dichloro-1-hydroxy)ethyl glutathione

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ChEBI ID	CHEBI:34958
ChEBI Name	S-(2,2-Dichloro-1-hydroxy)ethyl glutathione
Stars
Last Modified	27 January 2016
Downloads	Molfile

Formula	C12H19Cl2N3O7S
Net Charge	0
Average Mass	420.271
Monoisotopic Mass	419.03208
SMILES	N[C@@H](CCC(=O)N[C@@H](CSC(O)C(Cl)Cl)C(=O)NCC(=O)O)C(=O)O
InChI	InChI=1S/C12H19Cl2N3O7S/c13-9(14)12(24)25-4-6(10(21)16-3-8(19)20)17-7(18)2-1-5(15)11(22)23/h5-6,9,12,24H,1-4,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,12?/m0/s1
InChIKey	RULDRNMMLPUXQI-LBHDVABESA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	S-(2,2-Dichloro-1-hydroxy)ethyl glutathione (CHEBI:34958) is a peptide (CHEBI:16670)

Synonym	Source
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione	KEGG COMPOUND

Manual Xrefs	Databases
C14861	KEGG COMPOUND
HMDB0060506	HMDB