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CHEBI:192589 - 5-S-cysteinyldopa

Default Structure
ChEBI IDCHEBI:192589
ChEBI Name5-S-cysteinyldopa
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16N2O6S
Net Charge0
Average Mass316.335
Monoisotopic Mass316.07291
SMILESNC(CSc1cc(CC(N)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)
InChIKeySXISMOAILJWTID-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
5-S-cysteinyldopa (CHEBI:192589) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
2-amino-3-[3-(2-amino-2-carboxyethyl)sulanyl-4,5-dihydroxyphenyl]propanoic acid
Manual XrefsDatabases
27618ChemSpider