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CHEBI:51057 - 3-phenylpropionate
| Formula | C9H9O2 |
| Net Charge | -1 |
| Average Mass | 149.169 |
| Monoisotopic Mass | 149.06080 |
| 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)/p-1 |
| InChIKey | XMIIGOLPHOKFCH-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (21886157) |
| Roles Classification |
|---|
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-phenylpropionate (CHEBI:51057) has role human metabolite (CHEBI:77746) |
| 3-phenylpropionate (CHEBI:51057) has role plant metabolite (CHEBI:76924) |
| 3-phenylpropionate (CHEBI:51057) is a monocarboxylic acid anion (CHEBI:35757) |
| 3-phenylpropionate (CHEBI:51057) is conjugate base of 3-phenylpropionic acid (CHEBI:28631) |
| Incoming Relation(s) |
| (2R,3S)-piscidate (CHEBI:192789) has functional parent 3-phenylpropionate (CHEBI:51057) |
| 3-phenylpropionic acid (CHEBI:28631) is conjugate acid of 3-phenylpropionate (CHEBI:51057) |
| IUPAC Name |
|---|
| 3-phenylpropanoate |
| Synonym | Source |
|---|---|
| 3-phenyl propionate | UM-BBD |
| UniProt Name | Source |
|---|---|
| 3-phenylpropanoate | UniProt |
| Manual Xrefs | Databases |
|---|---|
| c0422 | UM-BBD |
| HMDB0000764 | HMDB |
| 3-PHENYLPROPIONATE | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Gmelin:328656 | Gmelin |
| Beilstein:4670367 | Beilstein |
| Reaxys:4670367 | Reaxys |