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CHEBI:49168 - dopa

ChEBI IDCHEBI:49168
ChEBI Namedopa
Stars
DefinitionA hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring.
Last Modified12 March 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC9H11NO4
Net Charge0
Average Mass197.190
Monoisotopic Mass197.06881
SMILESNC(Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
InChIKeyWTDRDQBEARUVNC-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
dopa (CHEBI:49168) has role human metabolite (CHEBI:77746)
dopa (CHEBI:49168) is a hydroxyphenylalanine (CHEBI:24734)
dopa (CHEBI:49168) is a non-proteinogenic α-amino acid (CHEBI:83925)
dopa (CHEBI:49168) is a tyrosine derivative (CHEBI:62761)
Incoming Relation(s)
N-methyldopa (CHEBI:167648) has functional parent dopa (CHEBI:49168)
6-hydroxydopa (CHEBI:20725) has functional parent dopa (CHEBI:49168)
D-dopa (CHEBI:49169) is a dopa (CHEBI:49168)
L-dopa (CHEBI:15765) is a dopa (CHEBI:49168)
IUPAC Names 
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
dopa
Synonyms  Source
(±)-3-(3,4-dihydroxyphenyl)alanineChemIDplus
3',4'-dihydroxyphenylalanineNIST Chemistry WebBook
3-hydroxy-DL-tyrosineChemIDplus
3-hydroxytyrosineIUPAC
(±)-dopaChemIDplus
dl-β-(3,4-dihydroxyphenyl)-α-alanineNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0000609HMDB
Registry NumbersSources
Reaxys:1462084Reaxys
Gmelin:51382Gmelin
CAS:63-84-3NIST Chemistry WebBook
CAS:63-84-3ChemIDplus
Citations