EMBL-EBI | Chemical Biology | ChEBI
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| 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)CCCCCCCCC(C)C |
| InChI | InChI=1S/C47H90O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-32-37-45(48)51-40-44(53-47(50)39-34-29-24-22-26-31-36-43(4)5)41-52-46(49)38-33-28-23-21-25-30-35-42(2)3/h42-44H,6-41H2,1-5H3/t44-/m0/s1 |
| InChIKey | FBIYZCFVCIDXER-SJARJILFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:0/i-12:0/i-12:0) (CHEBI:178767) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2,3-bis(10-methylundecanoyloxy)propyl] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0063985 | HMDB |
| 59665553 | ChemSpider |