EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C63H108O6 |
| Net Charge | 0 |
| Average Mass | 961.551 |
| Monoisotopic Mass | 960.81459 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-24,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,39-36-,48-45- |
| InChIKey | HOYRPNXXNBFEAZ-ZAMVXBHRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| Pooled sample (NCIT:C45910) | MetaboLights (MTBLS2128) | ||
| blood plasma (BTO:0000131) | MetaboLights (MTBLS2128) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)) (CHEBI:172295) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(Z)-icos-11-enoyl]oxypropyl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| 30777979 | ChemSpider |
| HMDB0050794 | HMDB |