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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: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. auxin Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek αυξανω, "to grow"). 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. toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. 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). Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| 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 |
|---|