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

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ChEBI Name N-acetyl-S-benzyl-L-cysteine(1−) ChEBI ID CHEBI:194342 ChEBI ASCII Name N-acetyl-S-benzyl-L-cysteine(1-) Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H14NO3S Net Charge -1 Average Mass 252.310 Monoisotopic Mass 252.06999 InChI InChI=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 InChIKey BJUXDERNWYKSIQ-NSHDSACASA-M SMILES CC(=O)N[C@@H](CSCC1=CC=CC=C1)C([O-])=O ChEBI Ontology Outgoing 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 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 Synonyms Sources N-acetyl-S-benzyl-L-cysteine UniProt N-acetyl-S-benzyl-L-cysteine anion ChEBI Manual Xref Database CPD-26165 MetaCyc View more database links Citation Type Source 35584544 PubMed citation SUBMITTER Last Modified 10 February 2023