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CHEBI:41941 - (3,4-dihydroxyphenyl)acetic acid
| Formula | C8H8O4 |
| Net Charge | 0 |
| Average Mass | 168.148 |
| Monoisotopic Mass | 168.04226 |
| SMILES | O=C(O)Cc1ccc(O)c(O)c1 |
| 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 |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | 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 |
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| Outgoing Relation(s) |
| (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 Relation(s) |
| 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) |
| IUPAC Name |
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| (3,4-dihydroxyphenyl)acetic acid |
| Synonyms | Source |
|---|---|
| 3,4-Dihydroxyphenylacetic acid | KEGG COMPOUND |
| 3,4-Dihydroxyphenyl acetic acid | KEGG COMPOUND |
| 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | PDBeChem |
| homoprotocatechuic acid | NIST Chemistry WebBook |
| dopacetic acid | NIST Chemistry WebBook |
| Citations |
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