EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H10O2 |
| Net Charge | 0 |
| Average Mass | 150.177 |
| Monoisotopic Mass | 150.06808 |
| SMILES | CCc1ccc(C(=O)O)cc1 |
| InChI | InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11) |
| InChIKey | ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (19812218) | ||
| blood (UBERON:0000178) | PubMed (19812218) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Ethylbenzoic acid (CHEBI:90074) is a benzoic acids (CHEBI:22723) |
| Synonyms | Source |
|---|---|
| 4-Ethylbenzoate | HMDB |
| 4-Ethyl Benzoic acid | HMDB |
| 4-Ethyl Benzoate | HMDB |
| p-Ethylbenzoic acid | HMDB |
| 4-ethylbenzoic acid | HMDB |
| p-Ethylbenzoate | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0002097 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:619-64-7 | KEGG COMPOUND |
| Citations |
|---|