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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: | 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. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . |
| 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 |
|---|---|
| Glycol acid phenyl ether | HMDB |
| phenoxacetic acid | ChEBI |
| Phenoxyacetate | KEGG COMPOUND |
| Phenoxyacetic acid | KEGG COMPOUND |
| Phenoxyessigsäure | ChEBI |
| phenoxyethanoic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 06Y | PDBeChem |
| C02181 | KEGG COMPOUND |
| HMDB0031609 | HMDB |
| Citations |
|---|