EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C54H100O6 |
| Net Charge | 0 |
| Average Mass | 845.388 |
| Monoisotopic Mass | 844.75199 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C54H100O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(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)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,51H,4-15,17-18,20-24,26,28-50H2,1-3H3/b19-16-,27-25-/t51-/m1/s1 |
| InChIKey | HRJZTBUCFKIMBE-TXWVTNJISA-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(15:0/18:0/18:2(9Z,12Z))[iso6] (CHEBI:184924) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-pentadecanoyloxypropan-2-yl] octadecanoate |
| Manual Xrefs | Databases |
|---|---|
| LMGL03015126 | LIPID MAPS |
| 24768317 | ChemSpider |