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(C)C)OC(=O)CCCCCCCCCCC |
| InChI | InChI=1S/C47H90O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-30-34-38-45(48)51-41-44(53-47(50)40-36-32-26-23-14-12-10-8-6-2)42-52-46(49)39-35-31-28-27-29-33-37-43(3)4/h43-44H,5-42H2,1-4H3/t44-/m0/s1 |
| InChIKey | SPOUPMOLABFCDX-SJARJILFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:0/12:0/i-12:0) (CHEBI:178944) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2-dodecanoyloxy-3-(10-methylundecanoyloxy)propyl] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| 59664544 | ChemSpider |
| HMDB0062958 | HMDB |