EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C55H90O6 |
| Net Charge | 0 |
| Average Mass | 847.319 |
| Monoisotopic Mass | 846.67374 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-30,52H,4-6,9,12-14,21-23,27,31-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,30-29-/t52-/m0/s1 |
| InChIKey | WEFNYRIICLTLRW-JEXGXOAVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(14:1(9Z)/18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:196898) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0048271 | HMDB |
| 59657418 | ChemSpider |