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CHEBI:8075 - phenoxyacetic acid
| Formula | C8H8O3 |
| Net Charge | 0 |
| Average Mass | 152.149 |
| Monoisotopic Mass | 152.04734 |
| SMILES | O=C(O)COc1ccccc1 |
| InChI | InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10) |
| InChIKey | LCPDWSOZIOUXRV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus niger (ncbitaxon:5061) | - | Article (Phytochemistry, 1988, 27(10), 3169-3173) | Strain: var. Tieghem. |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phenoxyacetic acid (CHEBI:8075) has functional parent glycolic acid (CHEBI:17497) |
| phenoxyacetic acid (CHEBI:8075) has role Aspergillus metabolite (CHEBI:76956) |
| phenoxyacetic acid (CHEBI:8075) has role allergen (CHEBI:50904) |
| phenoxyacetic acid (CHEBI:8075) has role human xenobiotic metabolite (CHEBI:76967) |
| phenoxyacetic acid (CHEBI:8075) has role plant growth retardant (CHEBI:35219) |
| phenoxyacetic acid (CHEBI:8075) is a aromatic ether (CHEBI:35618) |
| phenoxyacetic acid (CHEBI:8075) is a monocarboxylic acid (CHEBI:25384) |
| phenoxyacetic acid (CHEBI:8075) is conjugate acid of phenoxyacetate (CHEBI:38846) |
| Incoming Relation(s) |
| 2-(2-Isopropyl-5-methylphenoxy)acetic acid (CHEBI:229531) has functional parent phenoxyacetic acid (CHEBI:8075) |
| chlorophenoxyacetic acid (CHEBI:23152) has functional parent phenoxyacetic acid (CHEBI:8075) |
| phenoxyacetyl-CoA (CHEBI:28964) has functional parent phenoxyacetic acid (CHEBI:8075) |
| phenoxyacetate (CHEBI:38846) is conjugate base of phenoxyacetic acid (CHEBI:8075) |
| IUPAC Name |
|---|
| phenoxyacetic acid |
| Synonyms | Source |
|---|---|
| Phenoxyacetate | KEGG COMPOUND |
| Phenoxyacetic acid | KEGG COMPOUND |
| phenoxyethanoic acid | NIST Chemistry WebBook |
| POA | ChemIDplus |
| Phenoxyessigsäure | ChEBI |
| phenoxacetic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C02181 | KEGG COMPOUND |
| 06Y | PDBeChem |
| HMDB0031609 | HMDB |
| Citations |
|---|