EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C63H116O6 |
| Net Charge | 0 |
| Average Mass | 969.615 |
| Monoisotopic Mass | 968.87719 |
| SMILES | CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h21,24-28,60H,4-20,22-23,29-59H2,1-3H3/b24-21-,27-25-,28-26-/t60-/m0/s1 |
| InChIKey | WNUCOTRZBRFTHH-TZDGBVHQSA-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(16:1(9Z)/20:1(11Z)/24:1(15Z)) (CHEBI:185547) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-icos-11-enoyl]oxypropyl] (Z)-tetracos-15-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0048661 | HMDB |
| 59657769 | ChemSpider |