EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C39H73O10P |
| Net Charge | 0 |
| Average Mass | 732.977 |
| Monoisotopic Mass | 732.49414 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO |
| InChI | InChI=1S/C39H73O10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-39(43)49-37(35-48-50(44,45)47-33-36(41)32-40)34-46-38(42)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-41H,3-10,12,14-16,19-35H2,1-2H3,(H,44,45)/b13-11-,18-17-/t36-,37+/m0/s1 |
| InChIKey | QMKBWBSGJUWDHU-QNZMSYMZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Canis lupus (ncbitaxon:9612) | liver (BTO:0000759) | MetaboLights (MTBLS4015) |
| Roles Classification |
|---|
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PG(15:0/18:2) (CHEBI:190197) is a phosphatidylglycerol (CHEBI:17517) |
| IUPAC Name |
|---|
| [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate |
| Manual Xrefs | Databases |
|---|---|
| LMGP04010914 | LIPID MAPS |
| 113377572 | ChemSpider |