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CHEBI:145020 - N-acetyl-S-(2-succino)-L-cysteine

ChEBI IDCHEBI:145020
ChEBI NameN-acetyl-S-(2-succino)-L-cysteine
Stars
ASCII NameN-acetyl-S-(2-succino)-L-cysteine
DefinitionAn N-acetyl-L-amino acid that is L-cysteine in which the hydrogen of the thiol group has been replace by a 1,2-dicarboxyethyl group. The first metabolite in the disposal of S-(2-succino)-L-cysteine by Bacillus subtilis.
Last Modified2 October 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H13NO7S
Net Charge0
Average Mass279.270
Monoisotopic Mass279.04127
SMILESCC(=O)N[C@@H](CSC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C9H13NO7S/c1-4(11)10-5(8(14)15)3-18-6(9(16)17)2-7(12)13/h5-6H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t5-,6?/m0/s1
InChIKeyVWRYIVZHCHQFKJ-ZBHICJROSA-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)
N-acetyl-S-(2-succino)-L-cysteine (CHEBI:145020) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-S-(2-succino)-L-cysteine (CHEBI:145020) is a L-cysteine derivative (CHEBI:83824)
N-acetyl-S-(2-succino)-L-cysteine (CHEBI:145020) is a tricarboxylic acid (CHEBI:27093)
N-acetyl-S-(2-succino)-L-cysteine (CHEBI:145020) is conjugate acid of N-acetyl-S-(2-succino)-L-cysteine(3−) (CHEBI:144658)
Incoming Relation(s)
N-acetyl-S-(2-succino)-L-cysteine(3−) (CHEBI:144658) is conjugate base of N-acetyl-S-(2-succino)-L-cysteine (CHEBI:145020)
IUPAC Names 
2-{[(2R)-2-acetamido-2-carboxyethyl]thio}succinic acid
S-(1,2-dicarboxyethyl)-N-acetyl-L-cysteine
Citations