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CHEBI:166657 - 3-phenylbutyric acid
| Formula | C10H12O2 |
| Net Charge | 0 |
| Average Mass | 164.204 |
| Monoisotopic Mass | 164.08373 |
| SMILES | CC(CC(=O)O)c1ccccc1 |
| InChI | InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12) |
| InChIKey | ZZEWMYILWXCRHZ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-phenylbutyric acid (CHEBI:166657) has functional parent 3-phenylpropionic acid (CHEBI:28631) |
| 3-phenylbutyric acid (CHEBI:166657) has role antibacterial agent (CHEBI:33282) |
| 3-phenylbutyric acid (CHEBI:166657) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| 3-phenylbutyric acid (CHEBI:166657) is a benzenes (CHEBI:22712) |
| 3-phenylbutyric acid (CHEBI:166657) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| 3-phenylbutanoic acid |
| Synonyms | Source |
|---|---|
| β-methylhydrocinnamic acid | ChEBI |
| β-phenylbutyric acid | ChEBI |
| β-methylbenzenepropanoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| FDB022762 | FooDB |
| HMDB0001955 | HMDB |
| 19513 | ChemSpider |
| Citations |
|---|