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CHEBI:84296 - 2-S-cysteinyl-DOPA

ChEBI IDCHEBI:84296
ChEBI Name2-S-cysteinyl-DOPA
Stars
ASCII Name2-S-cysteinyl-DOPA
DefinitionAn L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma.
Last Modified13 March 2015
Submittersjupe
DownloadsMolfile
FormulaC12H16N2O6S
Net Charge0
Average Mass316.335
Monoisotopic Mass316.07291
SMILESN[C@@H](CSc1c(C[C@H](N)C(=O)O)ccc(O)c1O)C(=O)O
InChIInChI=1S/C12H16N2O6S/c13-6(11(17)18)3-5-1-2-8(15)9(16)10(5)21-4-7(14)12(19)20/h1-2,6-7,15-16H,3-4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1
InChIKeyIAGPESOLVJAEAG-BQBZGAKWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (891724)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
2-S-cysteinyl-DOPA (CHEBI:84296) has functional parent L-dopa (CHEBI:15765)
2-S-cysteinyl-DOPA (CHEBI:84296) has role human urinary metabolite (CHEBI:84087)
2-S-cysteinyl-DOPA (CHEBI:84296) is a S-conjugate (CHEBI:64987)
2-S-cysteinyl-DOPA (CHEBI:84296) is a S-organyl-L-cysteine (CHEBI:47912)
2-S-cysteinyl-DOPA (CHEBI:84296) is a L-tyrosine derivative (CHEBI:27177)
2-S-cysteinyl-DOPA (CHEBI:84296) is a amino dicarboxylic acid (CHEBI:36164)
2-S-cysteinyl-DOPA (CHEBI:84296) is a aryl sulfide (CHEBI:35683)
2-S-cysteinyl-DOPA (CHEBI:84296) is a catechols (CHEBI:33566)
2-S-cysteinyl-DOPA (CHEBI:84296) is a diamine (CHEBI:23666)
IUPAC Name 
2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxy-L-tyrosine
Synonyms  Source
2-S-cysteinyldopaChEBI
2-S-cysteinyl-3,4-dihydroxyphenylalanineChEBI
2-S-CysteinyldopaChemIDplus
Registry NumbersSources
Reaxys:2179160Reaxys
CAS:25565-17-7ChemIDplus
Citations