EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:195518 - 5-S-cysteinyldopaquinone zwitterion

ChEBI IDCHEBI:195518
ChEBI Name5-S-cysteinyldopaquinone zwitterion
Stars
ASCII Name5-S-cysteinyldopaquinone zwitterion
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H14N2O6S
Net Charge0
Average Mass314.319
Monoisotopic Mass314.05726
SMILES[NH3+][C@@H](CSC1=CC(C[C@H]([NH3+])C(=O)[O-])=CC(=O)C1=O)C(=O)[O-]
InChIInChI=1S/C12H14N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1
InChIKeyHOKJXHGZPDVBLS-BQBZGAKWSA-N
ChEBI Ontology
Outgoing Relation(s)
5-S-cysteinyldopaquinone zwitterion (CHEBI:195518) is a 1,2-benzoquinones (CHEBI:132123)
5-S-cysteinyldopaquinone zwitterion (CHEBI:195518) is a zwitterion (CHEBI:27369)
UniProt Name  Source
5-S-cysteinyldopaquinoneUniProt
Manual XrefsDatabases
CPD-20262MetaCyc
Citations