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| Formula | C59H104O6 |
| Net Charge | 0 |
| Average Mass | 909.475 |
| Monoisotopic Mass | 908.78329 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC |
| InChI | InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20,23,25,27-28,31-32,35,41,44,56H,4-19,21-22,24,26,29-30,33-34,36-40,42-43,45-55H2,1-3H3/b23-20-,28-25-,31-27-,35-32-,44-41-/t56-/m0/s1 |
| InChIKey | UOZSOMZYWBVFSX-GFQQWRFCSA-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(18:1(11Z)/20:3(5Z,8Z,11Z)/18:1(9Z)) (CHEBI:184827) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| 59658387 | ChemSpider |
| HMDB0049325 | HMDB |