EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C49H90O6 |
| Net Charge | 0 |
| Average Mass | 775.253 |
| Monoisotopic Mass | 774.67374 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h14,17,19,22,46H,4-13,15-16,18,20-21,23-45H2,1-3H3/b17-14-,22-19-/t46-/m0/s1 |
| InChIKey | LOMNPHGHKLBTBF-LOCWQGRMSA-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(14:1(9Z)/14:0/18:1(11Z)) (CHEBI:184683) is a triglyceride (CHEBI:17855) |
| IUPAC Name |
|---|
| [(2R)-2-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-octadec-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0047726 | HMDB |
| 59656896 | ChemSpider |