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CHEBI:233938 - S(2-carboxyethyl)mercapturic acid

ChEBI IDCHEBI:233938
ChEBI NameS(2-carboxyethyl)mercapturic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H13NO5S
Net Charge0
Average Mass235.261
Monoisotopic Mass235.05144
SMILESCC(=O)N[C@@H](CSCCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO5S/c1-5(10)9-6(8(13)14)4-15-3-2-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1
InChIKeyCLQPFBSYILTXKI-LURJTMIESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
S(2-carboxyethyl)mercapturic acid (CHEBI:233938) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2R)-2-acetamido-3-(2-carboxyethylsulanyl)propanoic acid