EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C56H102O6 |
| Net Charge | 0 |
| Average Mass | 871.426 |
| Monoisotopic Mass | 870.76764 |
| SMILES | CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h25,27,30,32,37,40,53H,4-24,26,28-29,31,33-36,38-39,41-52H2,1-3H3/b27-25-,32-30-,40-37-/t53-/m0/s1 |
| InChIKey | BKXAFLASIYSQOA-BJHMDNJISA-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(18:0/15:0/20:3(5Z,8Z,11Z)) (CHEBI:185451) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-octadecanoyloxy-2-pentadecanoyloxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0044704 | HMDB |
| 59654116 | ChemSpider |