EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C49H86O6 |
| Net Charge | 0 |
| Average Mass | 771.221 |
| Monoisotopic Mass | 770.64244 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
| InChI | InChI=1S/C49H86O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-30-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-17-14-11-8-5-2/h16,19,21-22,24-25,27-28,46H,4-15,17-18,20,23,26,29-45H2,1-3H3/b19-16-,22-21-,25-24-,28-27-/t46-/m1/s1 |
| InChIKey | LUMJHSXYRIOCEV-NXQBDKFQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | |||
| liver (BTO:0000759) | MetaboLights (MTBLS1887) | ||
| heart (BTO:0000562) | MetaboLights (MTBLS1887) | ||
| serum (BTO:0000133) | MetaboLights (MTBLS1887) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(46:4) (CHEBI:189618) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-2,3-di(dodecanoyloxy)propyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| 113371453 | ChemSpider |
| LMGL03012656 | LIPID MAPS |