5-S-cysteinyldopa (CHEBI:192589)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-S-cysteinyldopa

ChEBI ID	CHEBI:192589

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16N2O6S

Net Charge

Average Mass

316.330

Monoisotopic Mass

316.07291

InChI

InChI=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)

InChIKey

SXISMOAILJWTID-UHFFFAOYSA-N

SMILES

S(C1=CC(CC(N)C(O)=O)=CC(O)=C1O)CC(N)C(O)=O

Metabolite of Species	Details
Valsa sordida (NCBI:txid252740)	Found in Whole Organism (NCIT:C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	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