EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H14O5 |
| Net Charge | 0 |
| Average Mass | 274.272 |
| Monoisotopic Mass | 274.08412 |
| SMILES | CC[C@@H]1O[C@@H]1C#CC(=O)c1ccc(/C=C/C(=O)OC)o1 |
| InChI | InChI=1S/C15H14O5/c1-3-12-14(20-12)8-6-11(16)13-7-4-10(19-13)5-9-15(17)18-2/h4-5,7,9,12,14H,3H2,1-2H3/b9-5+/t12-,14+/m0/s1 |
| InChIKey | FRIBCHAVILXSND-OKSBWBPSSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Wyerone epoxide (CHEBI:174604) is a heterocyclic fatty acid (CHEBI:48847) |
| IUPAC Name |
|---|
| methyl (E)-3-[5-[3-[(2R,3S)-3-ethyloxiran-2-yl]prop-2-ynoyl]uran-2-yl]prop-2-enoate |
| Manual Xrefs | Databases |
|---|---|
| 81368555 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:60375-16-8 | ChemIDplus |