EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C51H98O6 |
| Net Charge | 0 |
| Average Mass | 807.339 |
| Monoisotopic Mass | 806.73634 |
| SMILES | CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C51H98O6/c1-5-7-9-11-13-15-17-19-20-21-22-24-25-30-34-38-42-49(52)55-45-48(46-56-50(53)43-39-35-31-28-27-29-33-37-41-47(3)4)57-51(54)44-40-36-32-26-23-18-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3/t48-/m0/s1 |
| InChIKey | BNLIGLYWGNQFCM-DYVQZXGMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | ||
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(19:0/15:0/i-14:0) (CHEBI:171537) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-3-(12-methyltridecanoyloxy)-2-pentadecanoyloxypropyl] nonadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 74874008 | ChemSpider |
| HMDB0110128 | HMDB |