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 | CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCCCC(C)C |
| InChI | InChI=1S/C47H90O6/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-27-31-35-39-46(49)52-42-44(41-51-45(48)38-34-30-25-12-10-8-6-2)53-47(50)40-36-32-28-24-23-26-29-33-37-43(3)4/h43-44H,5-42H2,1-4H3/t44-/m1/s1 |
| InChIKey | MJWHXLXIIOVIBI-USYZEHPZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:0/i-14:0/10:0) (CHEBI:178778) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-3-decanoyloxy-2-(12-methyltridecanoyloxy)propyl] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0063026 | HMDB |
| 59664611 | ChemSpider |