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 | CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCC |
| InChI | InChI=1S/C47H90O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-27-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-15-12-9-6-3)43-52-46(49)40-37-34-31-28-19-17-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m0/s1 |
| InChIKey | IJKZNRFQYZLADO-SJARJILFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(10:0/21:0/13:0) (CHEBI:178906) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-1-decanoyloxy-3-tridecanoyloxypropan-2-yl] henicosanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0072656 | HMDB |
| 59674142 | ChemSpider |