CHEBI:84296 - 2-S-cysteinyl-DOPA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-S-cysteinyl-DOPA
ChEBI ASCII Name 2-S-cysteinyl-DOPA
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Steve Jupe
Supplier Information
Download Molfile XML SDF
Formula C12H16N2O6S
Net Charge 0
Average Mass 316.33000
Monoisotopic Mass 316.07291
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
SMILES N[C@@H](CSc1c(C[C@H](N)C(O)=O)ccc(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-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)
Synonyms Sources
2-S-cysteinyl-3,4-dihydroxyphenylalanine ChEBI
2-S-Cysteinyldopa ChemIDplus
2-S-cysteinyldopa ChEBI
Registry Numbers Types Sources
2179160 Reaxys Registry Number Reaxys
25565-17-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
2438872 PubMed citation Europe PMC
403909 PubMed citation Europe PMC
408183 PubMed citation Europe PMC
6409012 PubMed citation Europe PMC
6784771 PubMed citation Europe PMC
891724 PubMed citation SUBMITTER
Last Modified
13 March 2015