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CHEBI:44747 - homogentisic acid
| Formula | C8H8O4 |
| Net Charge | 0 |
| Average Mass | 168.148 |
| Monoisotopic Mass | 168.04226 |
| SMILES | O=C(O)Cc1cc(O)ccc1O |
| InChI | InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) |
| InChIKey | IGMNYECMUMZDDF-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| homogentisic acid (CHEBI:44747) has functional parent phenylacetic acid (CHEBI:30745) |
| homogentisic acid (CHEBI:44747) has role human metabolite (CHEBI:77746) |
| homogentisic acid (CHEBI:44747) has role plant metabolite (CHEBI:76924) |
| homogentisic acid (CHEBI:44747) is a dihydroxyphenylacetic acid (CHEBI:61409) |
| homogentisic acid (CHEBI:44747) is a hydroquinones (CHEBI:24646) |
| homogentisic acid (CHEBI:44747) is conjugate acid of homogentisate (CHEBI:16169) |
| Incoming Relation(s) |
| homogentisate (CHEBI:16169) is conjugate base of homogentisic acid (CHEBI:44747) |
| IUPAC Name |
|---|
| (2,5-dihydroxyphenyl)acetic acid |
| Synonyms | Source |
|---|---|
| Homogentisic acid | KEGG COMPOUND |
| 2,5-Dihydroxyphenylacetic acid | KEGG COMPOUND |
| 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| C00544 | KEGG COMPOUND |
| OMD | PDBeChem |
| DB08327 | DrugBank |
| Homogentisic_acid | Wikipedia |
| HMDB0000130 | HMDB |
| C00007309 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Beilstein:2692860 | Beilstein |
| Reaxys:2692860 | Reaxys |
| CAS:451-13-8 | KEGG COMPOUND |
| CAS:451-13-8 | ChemIDplus |
| Citations |
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