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CHEBI:170811 - PE(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))
| Formula | C45H80NO8P |
| Net Charge | 0 |
| Average Mass | 794.108 |
| Monoisotopic Mass | 793.56216 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN |
| InChI | InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,30,32,43H,3-11,13,15-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,26-24-,32-30-/t43-/m1/s1 |
| InChIKey | VPDGQGZVNVFJGD-PCXMWBQASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) | Strain: C57BL/6J [EFO:0000606] |
| Homo sapiens (ncbitaxon:9606) | |||
| HeLa cell;NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| NIH-3T3 cell (BTO:0000944) | MetaboLights (MTBLS78) | ||
| HeLa cell (BTO:0000567) | MetaboLights (MTBLS78) | ||
| Hepa-RG cell (BTO:0005736) | MetaboLights (MTBLS78) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:170811) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (Z)-icos-11-enoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009267 | HMDB |
| LMGP02010863 | LIPID MAPS |
| 24768718 | ChemSpider |