In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029ARP |
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Common Name | PE(O-18:1(9Z)/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | 1-(9Z-octadecenyl)-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(O-38:5); PE(O-18:1/20:4) |
Exact Mass | |
Formula | C43H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | SJWHFJCODUWAMQ-MARKIPLJSA-N |
InChI | InChI=1S/C43H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)5 1-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10- 8-6-4-2/h13,15,17-20,22,24,28,30,42H,3-12,14,16,21,23,25-27,29,31-41,44H2,1-2H3, (H,46,47)/b15-13+,19-17-,20-18-,24-22-,30-28-/t42-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COCCCCCCCC/C=C\CC CCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |