EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H9O2 |
| Net Charge | -1 |
| Average Mass | 149.169 |
| Monoisotopic Mass | 149.06080 |
| SMILES | CC(C(=O)[O-])c1ccccc1 |
| InChI | InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/p-1 |
| InChIKey | YPGCWEMNNLXISK-UHFFFAOYSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | liver (BTO:0000759) | Article | Strain: C57BL/6J [EFO:0000606] |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-Phenylpropionate (CHEBI:177275) is a benzenes (CHEBI:22712) |
| 2-Phenylpropionate (CHEBI:177275) is a monocarboxylic acid (CHEBI:25384) |
| IUPAC Name |
|---|
| 2-phenylpropanoate |
| Manual Xrefs | Databases |
|---|---|
| 4417045 | ChemSpider |