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CHEBI:57556 - S-(3-carboxylatopropanoyl)glutathionate(2−)

ChEBI IDCHEBI:57556
ChEBI NameS-(3-carboxylatopropanoyl)glutathionate(2−)
Stars
ASCII NameS-(3-carboxylatopropanoyl)glutathionate(2-)
DefinitionDianion of S-succinylglutathione having anionic carboxy groups and a protonated primary amino group.
Last Modified13 November 2017
DownloadsMolfile
FormulaC14H19N3O9S
Net Charge-2
Average Mass405.385
Monoisotopic Mass405.08530
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CSC(=O)CCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C14H21N3O9S/c15-7(14(25)26)1-2-9(18)17-8(13(24)16-5-11(21)22)6-27-12(23)4-3-10(19)20/h7-8H,1-6,15H2,(H,16,24)(H,17,18)(H,19,20)(H,21,22)(H,25,26)/p-2/t7-,8-/m0/s1
InChIKeyCEWPGJBJGGBRQM-YUMQZZPRSA-L
ChEBI Ontology
Outgoing Relation(s)
S-(3-carboxylatopropanoyl)glutathionate(2−) (CHEBI:57556) is a tricarboxylic acid dianion (CHEBI:36300)
S-(3-carboxylatopropanoyl)glutathionate(2−) (CHEBI:57556) is conjugate base of S-succinylglutathione (CHEBI:15892)
Incoming Relation(s)
S-succinylglutathione (CHEBI:15892) is conjugate acid of S-(3-carboxylatopropanoyl)glutathionate(2−) (CHEBI:57556)
IUPAC Name 
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(3-carboxylatopropanoyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate
Synonym  Source
S-(3-carboxylatopropanoyl)glutathionate dianionChEBI
UniProt Name  Source
S-succinylglutathioneUniProt