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CHEBI:28631 - 3-phenylpropionic acid
| Formula | C9H10O2 |
| Net Charge | 0 |
| Average Mass | 150.177 |
| Monoisotopic Mass | 150.06808 |
| SMILES | O=C(O)CCc1ccccc1 |
| InChI | InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| InChIKey | XMIIGOLPHOKFCH-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-phenylpropionic acid (CHEBI:28631) has functional parent propionic acid (CHEBI:30768) |
| 3-phenylpropionic acid (CHEBI:28631) has role antifungal agent (CHEBI:35718) |
| 3-phenylpropionic acid (CHEBI:28631) has role human metabolite (CHEBI:77746) |
| 3-phenylpropionic acid (CHEBI:28631) has role plant metabolite (CHEBI:76924) |
| 3-phenylpropionic acid (CHEBI:28631) is a benzenes (CHEBI:22712) |
| 3-phenylpropionic acid (CHEBI:28631) is a monocarboxylic acid (CHEBI:25384) |
| 3-phenylpropionic acid (CHEBI:28631) is conjugate acid of 3-phenylpropionate (CHEBI:51057) |
| Incoming Relation(s) |
| 2-aminobenzoylacetic acid (CHEBI:131950) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-(p-nitrophenyl)propanoic acid (CHEBI:90321) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-(2,5-dimethoxyphenyl)propanoic acid (CHEBI:166656) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-(3,4-dihydroxyphenyl)propanoic acid (CHEBI:48400) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-hydroxy-3-phenylpropionic acid (CHEBI:19929) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-phenylbutyric acid (CHEBI:166657) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-phenylpropanoyl-CoA (CHEBI:85675) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-phenylpropionate ester (CHEBI:50791) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| methyl 3-phenylpropanoate (CHEBI:89875) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| propyl dihydroferulate (CHEBI:78758) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-phenylpropionate (CHEBI:51057) is conjugate base of 3-phenylpropionic acid (CHEBI:28631) |
| IUPAC Name |
|---|
| 3-phenylpropanoic acid |
| Synonyms | Source |
|---|---|
| 3-Phenylpropanoic acid | KEGG COMPOUND |
| 3-phenylpropionic acid | ChemIDplus |
| 3-phenylpropionic acid | KEGG COMPOUND |
| 3-Phenyl-propionic acid | KEGG COMPOUND |
| 3-Phenylpropionsäure | ChEBI |
| 3PP | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| 3-PHENYLPROPIONATE | MetaCyc |
| C05629 | KEGG COMPOUND |
| DB02024 | DrugBank |
| ECMDB00764 | ECMDB |
| HCI | PDBeChem |
| HMDB0000764 | HMDB |
| Phenylpropanoic_acid | Wikipedia |
| Citations |
|---|