EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C45H84O15 |
| Net Charge | 0 |
| Average Mass | 865.152 |
| Monoisotopic Mass | 864.58102 |
| SMILES | CC(C)CCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCC(C)C |
| InChI | InChI=1S/C45H84O15/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-36(47)55-28-33(58-37(48)26-22-18-14-10-6-8-12-16-20-24-32(3)4)29-56-44-43(54)41(52)39(50)35(60-44)30-57-45-42(53)40(51)38(49)34(27-46)59-45/h31-35,38-46,49-54H,5-30H2,1-4H3 |
| InChIKey | XUDTZIRAIGIFLQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Microbacteriumspecies (ncbitaxon:51671) | - | PubMed (10843572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GGL.1 (CHEBI:210243) is a glycosylglycerol derivative (CHEBI:63427) |
| IUPAC Name |
|---|
| [2-(13-methyltetradecanoyloxy)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 13-methyltetradecanoate |
| Manual Xrefs | Databases |
|---|---|
| 78444393 | ChemSpider |