Terminology Service for NFDI4Health
2,5-S,S'-dicysteinyldopa
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http://purl.obolibrary.org/obo/CHEBI_84298
An L-tyrosine derivative that is L-DOPA in which the hydrogens at positions 2 and 5 on the phenyl ring are replaced by cysteinyl groups. Found in the urine of patients with melanoma.
Term info
Label
2,5-S,S'-dicysteinyldopa
Synonyms
- 2,5-bis{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxy-L-tyrosine
Subsets
3_STAR
charge
0
formula
C15H21N3O8S2
has obo namespace
chebi_ontology
has related synonym
2,5-S,S-Dicysteinyldopa, 3-(2,5-S,S-dicysteinyl-3,4-dihydroxyphenyl)alanine, 2,5-S,S-dicysteinyl-3,4-dihydroxyphenylalanine
id
CHEBI:84298
inchi
InChI=1S/C15H21N3O8S2/c16-6(13(21)22)1-5-2-9(27-3-7(17)14(23)24)10(19)11(20)12(5)28-4-8(18)15(25)26/h2,6-8,19-20H,1,3-4,16-18H2,(H,21,22)(H,23,24)(H,25,26)/t6-,7-,8-/m0/s1
inchikey
PYGLBYQINHTALU-FXQIFTODSA-N
mass
435.47300
monoisotopicmass
435.07701
smiles
N[C@@H](CSc1cc(C[C@H](N)C(O)=O)c(SC[C@H](N)C(O)=O)c(O)c1O)C(O)=O