EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C54H100O6 |
| Net Charge | 0 |
| Average Mass | 845.388 |
| Monoisotopic Mass | 844.75199 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h20,23,25-26,51H,4-19,21-22,24,27-50H2,1-3H3/b23-20-,26-25-/t51-/m1/s1 |
| InChIKey | XJHCUGZLVVQPLJ-ZULIWAOTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein [LBO:0000132] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(15:0/16:1(9Z)/20:1(11Z)) (CHEBI:184447) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-pentadecanoyloxypropyl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| LMGL03015043 | LIPID MAPS |
| 75320387 | ChemSpider |