Terminology Service for NFDI4Health
2-S-cysteinyl-DOPA
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http://purl.obolibrary.org/obo/CHEBI_84296
An 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.
Term info
Label
2-S-cysteinyl-DOPA
Synonyms
- 2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxy-L-tyrosine
Subsets
3_STAR
charge
0
formula
C12H16N2O6S
has obo namespace
chebi_ontology
has related synonym
2-S-cysteinyl-3,4-dihydroxyphenylalanine, 2-S-cysteinyldopa, 2-S-Cysteinyldopa
id
CHEBI:84296
inchi
InChI=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
inchikey
IAGPESOLVJAEAG-BQBZGAKWSA-N
mass
316.33000
monoisotopicmass
316.07291
smiles
N[C@@H](CSc1c(C[C@H](N)C(O)=O)ccc(O)c1O)C(O)=O