EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C55H98O6 |
| Net Charge | 0 |
| Average Mass | 855.383 |
| Monoisotopic Mass | 854.73634 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h16,19-20,23-24,26,29,31,52H,4-15,17-18,21-22,25,27-28,30,32-51H2,1-3H3/b19-16-,23-20-,26-24-,31-29-/t52-/m0/s1 |
| InChIKey | WWLNTUDGINCFNU-LPEVHSOCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(18:1(11Z)/14:0/20:3n6) (CHEBI:170703) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-tetradecanoyloxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0049081 | HMDB |
| 59658163 | ChemSpider |