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CHEBI:168401 - 3-Acetoxystearic acid
| Formula | C20H38O4 |
| Net Charge | 0 |
| Average Mass | 342.520 |
| Monoisotopic Mass | 342.27701 |
| SMILES | CCCCCCCCCCCCCCCC(CC(=O)O)OC(C)=O |
| InChI | InChI=1S/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17-20(22)23)24-18(2)21/h19H,3-17H2,1-2H3,(H,22,23) |
| InChIKey | FCQLMPOGKXZXOP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Acetoxystearic acid (CHEBI:168401) is a long-chain fatty acid (CHEBI:15904) |
| IUPAC Name |
|---|
| 3-acetyloxyoctadecanoic acid |
| Manual Xrefs | Databases |
|---|---|
| LMFA01070025 | LIPID MAPS |