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CHEBI:189605 - PE(39:4)
| Formula | C44H80NO8P |
| Net Charge | 0 |
| Average Mass | 782.097 |
| Monoisotopic Mass | 781.56216 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN |
| InChI | InChI=1S/C44H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,42H,3-10,12,14-16,18,20,23-24,26,28-41,45H2,1-2H3,(H,48,49)/b13-11-,19-17-,22-21-,27-25-/t42-/m1/s1 |
| InChIKey | CECLOFYFVPZDIU-GXYHOHGQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | |||
| serum (BTO:0000133) | MetaboLights (MTBLS1887) | ||
| liver (BTO:0000759) | MetaboLights (MTBLS1887) | ||
| heart (BTO:0000562) | MetaboLights (MTBLS1887) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(39:4) (CHEBI:189605) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| 113375537 | ChemSpider |
| LMGP02010560 | LIPID MAPS |