EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C45H87O9P |
| Net Charge | 0 |
| Average Mass | 803.156 |
| Monoisotopic Mass | 802.60877 |
| SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO |
| InChI | InChI=1S/C45H87O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-51-41-44(42-53-55(49,50)52-40-43(47)39-46)54-45(48)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,36,38,43-44,46-47H,3-19,21-22,24-35,37,39-42H2,1-2H3,(H,49,50)/b23-20-,38-36-/t43-,44+/m0/s1 |
| InChIKey | INMOCSKXUAFDOI-IDUMTGHFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PG(P-20:0/19:1(9Z)) (CHEBI:185773) is a glycerophosphoglycerols (CHEBI:24360) |
| IUPAC Name |
|---|
| [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (Z)-nonadec-9-enoate |
| Manual Xrefs | Databases |
|---|---|
| 113377794 | ChemSpider |
| LMGP04030074 | LIPID MAPS |