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CHEBI:231127 - PE(22:4(7Z,10Z,13Z,16Z)/22:0)
| Formula | C49H90NO8P |
| Net Charge | 0 |
| Average Mass | 852.232 |
| Monoisotopic Mass | 851.64041 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C49H90NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,47H,3-10,12,14-16,18,20-22,24,26-28,30,32-46,50H2,1-2H3,(H,53,54)/b13-11-,19-17-,25-23-,31-29-/t47-/m1/s1 |
| InChIKey | LBIMYYDMBRNWAU-COJIEWFMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(22:4(7Z,10Z,13Z,16Z)/22:0) (CHEBI:231127) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxypropan-2-yl] docosanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0009599 | HMDB |
| LMGP02011128 | LIPID MAPS |
| 24769043 | ChemSpider |