EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C47H90O6 |
| Net Charge | 0 |
| Average Mass | 751.231 |
| Monoisotopic Mass | 750.67374 |
| SMILES | CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)CC |
| InChI | InChI=1S/C47H90O6/c1-6-8-9-25-32-37-45(48)51-40-44(53-47(50)39-34-29-24-20-16-15-18-22-27-31-36-43(5)7-2)41-52-46(49)38-33-28-23-19-14-12-10-11-13-17-21-26-30-35-42(3)4/h42-44H,6-41H2,1-5H3/t43?,44-/m0/s1 |
| InChIKey | MPNXEEDTIUGUHL-GGEHFJKESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(8:0/a-17:0/i-19:0)[rac] (CHEBI:178908) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2-(14-methylhexadecanoyloxy)-3-octanoyloxypropyl] 17-methyloctadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 59674095 | ChemSpider |
| HMDB0072608 | HMDB |