EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C65H122O6 |
| Net Charge | 0 |
| Average Mass | 999.685 |
| Monoisotopic Mass | 998.92414 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,62H,4-15,17-18,20-24,26-27,29-61H2,1-3H3/b19-16-,28-25-/t62-/m1/s1 |
| InChIKey | KWGDKWYPTTYCLC-DEGBXDRHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | |||
| heart (BTO:0000562) | MetaboLights (MTBLS1887) | ||
| serum (BTO:0000133) | MetaboLights (MTBLS1887) | ||
| liver (BTO:0000759) | MetaboLights (MTBLS1887) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(62:2) (CHEBI:189626) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-octadecanoyloxypropan-2-yl] docosanoate |
| Manual Xrefs | Databases |
|---|---|
| 7824781 | ChemSpider |
| LMGL03011870 | LIPID MAPS |