EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:229387 - Sulfurous acid, isohexyl 2-pentyl ester
| Formula | C11H24O3S |
| Net Charge | 0 |
| Average Mass | 236.377 |
| Monoisotopic Mass | 236.14462 |
| SMILES | CCCC(C)OS(=O)OCCCC(C)C |
| InChI | InChI=1S/C11H24O3S/c1-5-7-11(4)14-15(12)13-9-6-8-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey | QXCFJTXEVSCTET-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Oryctolagus cuniculus (ncbitaxon:9986) | longissimus thoracis (BTO:0001651) | MetaboLights (MTBLS8958) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sulfurous acid, isohexyl 2-pentyl ester (CHEBI:229387) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 4-methylpentyl pentan-2-yl sulite |
| Manual Xrefs | Databases |
|---|---|
| 4926918 | ChemSpider |