EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195517 - 5-S-cysteinyldopa zwitterion

ChEBI IDCHEBI:195517
ChEBI Name5-S-cysteinyldopa zwitterion
Stars
ASCII Name5-S-cysteinyldopa zwitterion
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H16N2O6S
Net Charge0
Average Mass316.335
Monoisotopic Mass316.07291
SMILES[NH3+][C@@H](CSc1cc(C[C@H]([NH3+])C(=O)[O-])cc(O)c1O)C(=O)[O-]
InChIInChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1
InChIKeySXISMOAILJWTID-BQBZGAKWSA-N
ChEBI Ontology
Outgoing Relation(s)
5-S-cysteinyldopa zwitterion (CHEBI:195517) is a zwitterion (CHEBI:27369)
5-S-cysteinyldopa zwitterion (CHEBI:195517) is tautomer of Cysteinyldopa (CHEBI:81392)
Incoming Relation(s)
Cysteinyldopa (CHEBI:81392) is tautomer of 5-S-cysteinyldopa zwitterion (CHEBI:195517)
UniProt Name  Source
5-S-cysteinyldopaUniProt
Manual XrefsDatabases
CPD-15154MetaCyc
Citations