EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:230565 - 3-(but-3-en-1-yn-1-yl)-6-methyl-1,2-dithiine
| Formula | C9H8S2 |
| Net Charge | 0 |
| Average Mass | 180.297 |
| Monoisotopic Mass | 180.00674 |
| SMILES | C=CC#CC1=CC=C(C)SS1 |
| InChI | InChI=1S/C9H8S2/c1-3-4-5-9-7-6-8(2)10-11-9/h3,6-7H,1H2,2H3 |
| InChIKey | SEXDKVHSFVCQMZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(but-3-en-1-yn-1-yl)-6-methyl-1,2-dithiine (CHEBI:230565) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 3-but-3-en-1-ynyl-6-methyldithiine |
| Manual Xrefs | Databases |
|---|---|
| 113368945 | ChemSpider |
| LMFA12000365 | LIPID MAPS |