EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C31H54O12 |
| Net Charge | 0 |
| Average Mass | 618.761 |
| Monoisotopic Mass | 618.36153 |
| SMILES | CCCCCCCCCC(CCCCCCCCCC(=O)O)OC1OC(COC(C)=O)C(O)C(O)C1OC(=O)CC(=O)O |
| InChI | InChI=1S/C31H54O12/c1-3-4-5-6-8-11-14-17-23(18-15-12-9-7-10-13-16-19-25(33)34)41-31-30(43-27(37)20-26(35)36)29(39)28(38)24(42-31)21-40-22(2)32/h23-24,28-31,38-39H,3-21H2,1-2H3,(H,33,34)(H,35,36) |
| InChIKey | XVDLULKLSKWATQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Sch 484129 (CHEBI:205304) is a O-acyl carbohydrate (CHEBI:52782) |
| IUPAC Name |
|---|
| 11-[6-(acetyloxymethyl)-3-(2-carboxyacetyl)oxy-4,5-dihydroxyoxan-2-yl]oxyicosanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78444108 | ChemSpider |