CHEBI:78741 - oxidopamine

ChEBI IDCHEBI:78741
ChEBI Nameoxidopamine
Stars
DefinitionA benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).
Last Modified26 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H11NO3
Net Charge0
Average Mass169.180
Monoisotopic Mass169.07389
SMILESNCCc1cc(O)c(O)cc1O
InChIInChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
InChIKeyDIVDFFZHCJEHGG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
neurotoxin  A poison that interferes with the functions of the nervous system.
ChEBI Ontology
Outgoing Relation(s)
oxidopamine (CHEBI:78741) has functional parent dopamine (CHEBI:18243)
oxidopamine (CHEBI:78741) has role drug metabolite (CHEBI:49103)
oxidopamine (CHEBI:78741) has role human metabolite (CHEBI:77746)
oxidopamine (CHEBI:78741) has role neurotoxin (CHEBI:50910)
oxidopamine (CHEBI:78741) is a benzenetriol (CHEBI:22707)
oxidopamine (CHEBI:78741) is a catecholamine (CHEBI:33567)
oxidopamine (CHEBI:78741) is a primary amino compound (CHEBI:50994)
IUPAC Name 
5-(2-aminoethyl)benzene-1,2,4-triol
INNs  Source
oxidopaminaChemIDplus
oxidopamineWHO MedNet
oxidopamineChemIDplus
oxidopaminumChemIDplus
Synonyms  Source
2,4,5-trihydroxyphenethylamineChemIDplus
6-OHDAChemIDplus
6-hydroxydopamineChemIDplus
hydroxydopamineMetaCyc
topamineChEBI
Manual XrefsDatabases
OxidopamineWikipedia
D05294KEGG DRUG
CPD-7666MetaCyc
HMDB0001537HMDB
LSM-37081LINCS
Registry NumbersSources
Reaxys:2211011Reaxys
Citations