EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C45H84O5 |
| Net Charge | 0 |
| Average Mass | 705.162 |
| Monoisotopic Mass | 704.63188 |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
| InChI | InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,43,46H,3-13,15,18,20-42H2,1-2H3/b16-14-,19-17-/t43-/m0/s1 |
| InChIKey | ZSQAOKSZFDYOAM-GHJNHKDUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | hTERT-RPE1 cell (BTO:0004790) | MetaboLights (MTBLS682) |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DG(18:1(11Z)/24:1(15Z)/0:0) (CHEBI:191328) is a 1,2-diglyceride (CHEBI:49172) |
| IUPAC Name |
|---|
| [(2S)-1-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0007210 | HMDB |
| 24765990 | ChemSpider |