CHEBI:41941 - (3,4-dihydroxyphenyl)acetic acid

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ChEBI Name (3,4-dihydroxyphenyl)acetic acid
Definition A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1386, CHEBI:41936
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Formula C8H8O4
Net Charge 0
Average Mass 168.14672
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
SMILES OC(=O)Cc1ccc(O)c(O)c1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) has functional parent phenylacetic acid (CHEBI:30745)
(3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) has role human metabolite (CHEBI:77746)
(3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) is a catechols (CHEBI:33566)
(3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) is a dihydroxyphenylacetic acid (CHEBI:61409)
(3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) is conjugate acid of (3,4-dihydroxyphenyl)acetate (CHEBI:17612)
Incoming homovanillic acid (CHEBI:545959) has functional parent (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941)
isohomovanillic acid (CHEBI:70818) has functional parent (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) is conjugate base of (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941)
(3,4-dihydroxyphenyl)acetic acid
Synonyms Sources
3,4-Dihydroxyphenyl acetic acid KEGG COMPOUND
3,4-Dihydroxyphenylacetic acid KEGG COMPOUND
3,4-dihydroxyphenylacetic acid UniProt
dopacetic acid NIST Chemistry WebBook
homoprotocatechuic acid NIST Chemistry WebBook
Manual Xrefs Databases
DB01702 DrugBank
DOPAC Wikipedia
HMDB0001336 HMDB
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Registry Numbers Types Sources
102-32-9 CAS Registry Number NIST Chemistry WebBook
102-32-9 CAS Registry Number ChemIDplus
2211017 Beilstein Registry Number Beilstein
2211017 Reaxys Registry Number Reaxys
874810 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
11251641 PubMed citation Europe PMC
11681538 PubMed citation Europe PMC
11868042 PubMed citation Europe PMC
15212971 PubMed citation Europe PMC
15862791 PubMed citation Europe PMC
18706927 PubMed citation Europe PMC
19191673 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
4420192 PubMed citation Europe PMC
Last Modified
23 December 2018