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CHEBI:194342 - N-acetyl-S-benzyl-L-cysteine(1−)

ChEBI IDCHEBI:194342
ChEBI NameN-acetyl-S-benzyl-L-cysteine(1−)
Stars
ASCII NameN-acetyl-S-benzyl-L-cysteine(1-)
DefinitionAn S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-benzyl-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified10 February 2023
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC12H14NO3S
Net Charge-1
Average Mass252.315
Monoisotopic Mass252.06999
SMILESCC(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-]
InChIInChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/p-1/t11-/m0/s1
InChIKeyBJUXDERNWYKSIQ-NSHDSACASA-M
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-S-benzyl-L-cysteine(1−) (CHEBI:194342) is a S-substituted N-acetyl-L-cysteinate (CHEBI:58718)
N-acetyl-S-benzyl-L-cysteine(1−) (CHEBI:194342) is conjugate base of N-acetyl-S-benzyl-L-cysteine (CHEBI:194360)
Incoming Relation(s)
N-acetyl-S-benzyl-L-cysteine (CHEBI:194360) is conjugate acid of N-acetyl-S-benzyl-L-cysteine(1−) (CHEBI:194342)
IUPAC Name 
(2R)-2-acetamido-3-(benzylsulfanyl)propanoate
Synonym  Source
N-acetyl-S-benzyl-L-cysteine anionChEBI
UniProt Name  Source
N-acetyl-S-benzyl-L-cysteineUniProt
Manual XrefsDatabases
CPD-26165MetaCyc
Citations