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

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ChEBI Name (3,4-dihydroxyphenyl)acetic acid
ChEBI ID CHEBI:41941
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 168.042
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)
InChIKey CFFZDZCDUFSOFZ-UHFFFAOYSA-N
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).
View more via ChEBI Ontology
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)
(3,4-dihydroxyphenyl)acetate (CHEBI:17612) is conjugate base of (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941)
IUPAC Name
(3,4-dihydroxyphenyl)acetic acid
Synonyms Sources
2-(3,4-DIHYDROXYPHENYL)ACETIC ACID PDBeChem
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
Database Links Databases
C01161 KEGG COMPOUND
DB01702 DrugBank
DHY PDBeChem
DOPAC Wikipedia
HMDB0001336 HMDB
View more database links
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
14 October 2016