EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C51H94O6 |
| Net Charge | 0 |
| Average Mass | 803.307 |
| Monoisotopic Mass | 802.70504 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-25-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-20,22-23,48H,4-18,21,24-47H2,1-3H3/b22-19-,23-20-/t48-/m0/s1 |
| InChIKey | VOPGNDGERQMMJW-ALPLOHNWSA-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(14:0/18:1(11Z)/16:1(9Z)) (CHEBI:185445) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-octadec-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0042339 | HMDB |
| 59651896 | ChemSpider |