EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:177252 - PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))
| Formula | C43H74NO8P |
| Net Charge | 0 |
| Average Mass | 764.038 |
| Monoisotopic Mass | 763.51520 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN |
| InChI | InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,41H,3-4,6,8-10,12,15,19,22-23,25,27-40,44H2,1-2H3,(H,47,48)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t41-/m1/s1 |
| InChIKey | VHHWPJFJXPSEDR-DWSJJDFISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | liver (BTO:0000759) | Article | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:177252) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674) |
| IUPAC Name |
|---|
| [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0008978 | HMDB |
| 24768464 | ChemSpider |