CHEBI:58257 - S-(4-bromophenyl)-L-cysteine zwitterion

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-(4-bromophenyl)-L-cysteine zwitterion
ChEBI ID CHEBI:58257
ChEBI ASCII Name S-(4-bromophenyl)-L-cysteine zwitterion
Definition An amino acid zwitterion obtained via transfer of a proton from the carboxy to the amino group of S-(4-bromophenyl)-L-cysteine; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H10BrNO2S
Net Charge 0
Average Mass 276.15000
Monoisotopic Mass 274.96156
InChI InChI=1S/C9H10BrNO2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey JULKRQGCYVMHSB-QMMMGPOBSA-N
SMILES [NH3+][C@@H](CSc1ccc(Br)cc1)C([O-])=O
ChEBI Ontology
Outgoing S-(4-bromophenyl)-L-cysteine zwitterion (CHEBI:58257) is a amino acid zwitterion (CHEBI:35238)
S-(4-bromophenyl)-L-cysteine zwitterion (CHEBI:58257) is tautomer of S-(4-bromophenyl)-L-cysteine (CHEBI:17736)
Incoming S-(4-bromophenyl)-L-cysteine (CHEBI:17736) is tautomer of S-(4-bromophenyl)-L-cysteine zwitterion (CHEBI:58257)
IUPAC Name
(2R)-2-azaniumyl-3-[(4-bromophenyl)sulfanyl]propanoate
Synonyms Sources
(2R)-2-ammonio-3-[(4-bromophenyl)sulfanyl]propanoate IUPAC
S-(4-bromophenyl)-L-cysteine UniProt
Last Modified
13 November 2017