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CHEBI:30745 - phenylacetic acid
| Formula | C8H8O2 |
| Net Charge | 0 |
| Average Mass | 136.150 |
| Monoisotopic Mass | 136.05243 |
| 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) |
| InChIKey | WLJVXDMOQOGPHL-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Stachylidium (ncbitaxon:796327) | - | PubMed (21162532) | Marine derived fungus isolated from sponge Callyspongia sp. cf. C. flammea Strain: 220 |
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| 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: | auxin Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek αυξανω, "to grow"). Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. 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. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). EC 6.4.1.1 (pyruvate carboxylase) inhibitor An EC 6.4.1.* (carboxylase) inhibitor that interferes with the action of pyruvate carboxylase (EC 6.4.1.1). 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. 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) |
| phenylacetic acid (CHEBI:30745) has functional parent acetic acid (CHEBI:15366) |
| phenylacetic acid (CHEBI:30745) has role Aspergillus metabolite (CHEBI:76956) |
| phenylacetic acid (CHEBI:30745) has role Escherichia coli metabolite (CHEBI:76971) |
| phenylacetic acid (CHEBI:30745) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| phenylacetic acid (CHEBI:30745) has role allergen (CHEBI:50904) |
| phenylacetic acid (CHEBI:30745) has role auxin (CHEBI:22676) |
| phenylacetic acid (CHEBI:30745) has role EC 6.4.1.1 (pyruvate carboxylase) inhibitor (CHEBI:90318) |
| phenylacetic acid (CHEBI:30745) has role human metabolite (CHEBI:77746) |
| phenylacetic acid (CHEBI:30745) has role plant growth retardant (CHEBI:35219) |
| phenylacetic acid (CHEBI:30745) has role plant metabolite (CHEBI:76924) |
| phenylacetic acid (CHEBI:30745) has role toxin (CHEBI:27026) |
| phenylacetic acid (CHEBI:30745) is a benzenes (CHEBI:22712) |
| phenylacetic acid (CHEBI:30745) is a monocarboxylic acid (CHEBI:25384) |
| phenylacetic acid (CHEBI:30745) is a phenylacetic acids (CHEBI:25978) |
| phenylacetic acid (CHEBI:30745) is conjugate acid of phenylacetate (CHEBI:18401) |
| Incoming Relation(s) |
| (2-nitrophenyl)acetic acid (CHEBI:187870) has functional parent phenylacetic acid (CHEBI:30745) |
| (3-bromo-4-hydroxy-5-nitrophenyl)acetyl azide (CHEBI:63481) has functional parent phenylacetic acid (CHEBI:30745) |
| (3,4-dihydroxyphenyl)acetic acid (CHEBI:41941) has functional parent phenylacetic acid (CHEBI:30745) |
| (3,5-dihydroxyphenyl)acetic acid (CHEBI:131431) has functional parent phenylacetic acid (CHEBI:30745) |
| (3S)-3,7-dimethyloct-7-en-1-yl phenylacetate (CHEBI:142274) has functional parent phenylacetic acid (CHEBI:30745) |
| (4-hydroxy-3-nitrophenyl)acetyl azide (CHEBI:58986) has functional parent phenylacetic acid (CHEBI:30745) |
| (4-nitrophenyl)acetic acid (CHEBI:40443) has functional parent phenylacetic acid (CHEBI:30745) |
| N-ethylphenylacetamide (CHEBI:4737) has functional parent phenylacetic acid (CHEBI:30745) |
| 2-phenylacetamide (CHEBI:16562) has functional parent phenylacetic acid (CHEBI:30745) |
| 5-[2-(2-oxoethoxy)ethoxy]-diclofenac (CHEBI:61752) has functional parent phenylacetic acid (CHEBI:30745) |
| antimycin A9 (CHEBI:65413) has functional parent phenylacetic acid (CHEBI:30745) |
| benzylpenilloaldehyde (CHEBI:60542) has functional parent phenylacetic acid (CHEBI:30745) |
| diclofenac (CHEBI:47381) has functional parent phenylacetic acid (CHEBI:30745) |
| gepinacin (CHEBI:82641) has functional parent phenylacetic acid (CHEBI:30745) |
| homogentisic acid (CHEBI:44747) has functional parent phenylacetic acid (CHEBI:30745) |
| hydratropic acid (CHEBI:48526) has functional parent phenylacetic acid (CHEBI:30745) |
| mandelamide (CHEBI:136824) has functional parent phenylacetic acid (CHEBI:30745) |
| methyl 3-cyano-2-phenylpropanoate (CHEBI:71185) has functional parent phenylacetic acid (CHEBI:30745) |
| phenylacetyl-CoA (CHEBI:15537) has functional parent phenylacetic acid (CHEBI:30745) |
| α-sulfophenylacetic acid (CHEBI:225282) has functional parent phenylacetic acid (CHEBI:30745) |
| phenylacetate (CHEBI:18401) is conjugate base of phenylacetic acid (CHEBI:30745) |
| IUPAC Name |
|---|
| phenylacetic acid |
| Synonyms | Source |
|---|---|
| Phenylacetic acid | KEGG COMPOUND |
| Benzylformic acid | KEGG COMPOUND |
| benzeneacetic acid | NIST Chemistry WebBook |
| α-toluic acid | NIST Chemistry WebBook |
| 2-PHENYLACETIC ACID | PDBeChem |
| 2-Phenylethanoic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C07086 | KEGG COMPOUND |
| C07086 | KEGG COMPOUND |
| PAC | PDBeChem |
| Phenylacetic_acid | Wikipedia |
| HMDB0000209 | HMDB |
| C00000750 | KNApSAcK |
| YMDB00891 | YMDB |
| ECMDB04128 | ECMDB |
| PHENYLACETATE | MetaCyc |
| 4624 | DrugCentral |
| Citations |
|---|