EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C59H110O6 |
| Net Charge | 0 |
| Average Mass | 915.523 |
| Monoisotopic Mass | 914.83024 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h16,19,24,26,56H,4-15,17-18,20-23,25,27-55H2,1-3H3/b19-16-,26-24-/t56-/m0/s1 |
| InChIKey | HSISMYYRVVPXKG-KNAYTQRDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bos taurus (ncbitaxon:9913) | spermatozoon (BTO:0001277) | MetaboLights (MTBLS1071) | Strain: Holstein [LBO:0000132] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| TG(14:0/22:2(13Z,16Z)/20:0) (CHEBI:185168) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2S)-1-icosanoyloxy-3-tetradecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| 59652209 | ChemSpider |
| HMDB0042665 | HMDB |