CHEBI:84298 - 2,5-S,S'-dicysteinyldopa

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ChEBI Name 2,5-S,S'-dicysteinyldopa ChEBI ID CHEBI:84298 Definition 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Steve Jupe Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H21N3O8S2 Net Charge 0 Average Mass 435.47300 Monoisotopic Mass 435.07701 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 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 Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 2,5-S,S'-dicysteinyldopa (CHEBI:84298) has functional parent L-dopa (CHEBI:15765) 2,5-S,S'-dicysteinyldopa (CHEBI:84298) has role human urinary metabolite (CHEBI:84087) 2,5-S,S'-dicysteinyldopa (CHEBI:84298) is a S-conjugate (CHEBI:64987) 2,5-S,S'-dicysteinyldopa (CHEBI:84298) is a S-organyl-L-cysteine (CHEBI:47912) 2,5-S,S'-dicysteinyldopa (CHEBI:84298) is a L-tyrosine derivative (CHEBI:27177) 2,5-S,S'-dicysteinyldopa (CHEBI:84298) is a aryl sulfide (CHEBI:35683) 2,5-S,S'-dicysteinyldopa (CHEBI:84298) is a catechols (CHEBI:33566) 2,5-S,S'-dicysteinyldopa (CHEBI:84298) is a triamine (CHEBI:38751) 2,5-S,S'-dicysteinyldopa (CHEBI:84298) is a tricarboxylic acid (CHEBI:27093) IUPAC Name 2,5-bis{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxy-L-tyrosine Synonyms Sources 2,5-S,S-dicysteinyl-3,4-dihydroxyphenylalanine ChEBI 2,5-S,S-Dicysteinyldopa ChemIDplus 3-(2,5-S,S-dicysteinyl-3,4-dihydroxyphenyl)alanine ChEBI Registry Numbers Types Sources 5182705 Reaxys Registry Number Reaxys 57954-84-4 CAS Registry Number ChemIDplus Citations Types Sources 3104937 PubMed citation SUBMITTER 891724 PubMed citation SUBMITTER Last Modified 16 March 2015