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| Formula | C56H102O6 |
| Net Charge | 0 |
| Average Mass | 871.426 |
| Monoisotopic Mass | 870.76764 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,34,37,53H,4-16,18-19,21-25,27-28,30-33,35-36,38-52H2,1-3H3/b20-17-,29-26-,37-34-/t53-/m0/s1 |
| InChIKey | RCVZYVKPQLOQRM-QJLBVCPESA-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(15:0/20:0/18:3(6Z,9Z,12Z)) (CHEBI:171693) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-pentadecanoyloxypropan-2-yl] icosanoate |
| Manual Xrefs | Databases |
|---|---|
| 59652617 | ChemSpider |
| HMDB0043091 | HMDB |