EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C55H90O6 |
| Net Charge | 0 |
| Average Mass | 847.319 |
| Monoisotopic Mass | 846.67374 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCC |
| InChI | InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-29,31,36,39,52H,4-7,9-10,12-14,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m1/s1 |
| InChIKey | SCQJCKUIROGOTP-KEZJLEOGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/18:3(9Z,12Z,15Z)) (CHEBI:196909) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0054093 | HMDB |
| 59662739 | ChemSpider |