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CHEBI:18401 - phenylacetate
| Formula | C8H7O2 |
| Net Charge | -1 |
| Average Mass | 135.142 |
| Monoisotopic Mass | 135.04515 |
| SMILES | O=C([O-])Cc1ccccc1 |
| InChI | InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1 |
| InChIKey | WLJVXDMOQOGPHL-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Roles Classification |
|---|
| Biological Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phenylacetate (CHEBI:18401) has functional parent acetate (CHEBI:30089) |
| phenylacetate (CHEBI:18401) has role Escherichia coli metabolite (CHEBI:76971) |
| phenylacetate (CHEBI:18401) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| phenylacetate (CHEBI:18401) has role human metabolite (CHEBI:77746) |
| phenylacetate (CHEBI:18401) has role plant metabolite (CHEBI:76924) |
| phenylacetate (CHEBI:18401) is a monocarboxylic acid anion (CHEBI:35757) |
| phenylacetate (CHEBI:18401) is conjugate base of phenylacetic acid (CHEBI:30745) |
| Incoming Relation(s) |
| (3,4-dihydroxyphenyl)acetate (CHEBI:17612) has functional parent phenylacetate (CHEBI:18401) |
| 2,4,5-trihydroxyphenylacetate (CHEBI:138056) has functional parent phenylacetate (CHEBI:18401) |
| phenylacetic acid (CHEBI:30745) is conjugate acid of phenylacetate (CHEBI:18401) |
| IUPAC Name |
|---|
| phenylacetate |
| Synonyms | Source |
|---|---|
| 2-phenylethanoate | ChEBI |
| phenylacetic acid anion | ChEBI |
| phenylacetate anion | ChEBI |
| phenylacetate(1−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 2-phenylacetate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| c0211 | UM-BBD |
| PHENYLACETATE | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Gmelin:327522 | Gmelin |
| Reaxys:3539899 | Reaxys |