EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H12O2S |
| Net Charge | 0 |
| Average Mass | 208.282 |
| Monoisotopic Mass | 208.05580 |
| SMILES | CC#Cc1ccc(CCC(=O)OC)s1 |
| InChI | InChI=1S/C11H12O2S/c1-3-4-9-5-6-10(14-9)7-8-11(12)13-2/h5-6H,7-8H2,1-2H3 |
| InChIKey | UOKDPAAQNNWFSY-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Methyl 3-[5-(1-propyn-1-yl)-2-thienyl]propanoate (CHEBI:177617) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| methyl 3-(5-prop-1-ynylthiophen-2-yl)propanoate |
| Manual Xrefs | Databases |
|---|---|
| 30777065 | ChemSpider |
| HMDB0034759 | HMDB |