EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C52H94O6 |
| Net Charge | 0 |
| Average Mass | 815.318 |
| Monoisotopic Mass | 814.70504 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC |
| InChI | InChI=1S/C52H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20-25,49H,4-19,26-48H2,1-3H3/b23-20-,24-21-,25-22-/t49-/m1/s1 |
| InChIKey | QJJXGOJKLTYZHP-TVQQJNQJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trypanosoma brucei (ncbitaxon:5691) | cell culture (BTO:0000214) | MetaboLights (MTBLS2559) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,2-di-(9Z-hexadecenoyl)-3-(9Z-heptadecenoyl)-sn-glycerol (CHEBI:183119) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (Z)-heptadec-9-enoate |
| Manual Xrefs | Databases |
|---|---|
| 7822948 | ChemSpider |
| LMGL03010029 | LIPID MAPS |