EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C51H98O6 |
| Net Charge | 0 |
| Average Mass | 807.339 |
| Monoisotopic Mass | 806.73634 |
| SMILES | CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC(C)CC |
| InChI | InChI=1S/C51H98O6/c1-5-8-10-12-14-16-17-18-19-20-21-22-27-31-35-39-43-50(53)56-46-48(45-55-49(52)42-38-34-30-25-15-13-11-9-6-2)57-51(54)44-40-36-32-28-24-23-26-29-33-37-41-47(4)7-3/h47-48H,5-46H2,1-4H3/t47?,48-/m1/s1 |
| InChIKey | IWAPDEXJYACAEE-YZMWRMHMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(19:0/a-17:0/12:0)[rac] (CHEBI:171490) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-3-dodecanoyloxy-2-(14-methylhexadecanoyloxy)propyl] nonadecanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0110388 | HMDB |
| 74874266 | ChemSpider |