In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02039ADV |
---|---|
Common Name | PE(P-16:1(11Z)/20:4(5Z,8Z,11Z,13E)) |
Systematic Name | 1-(1Z,11Z-hexadecadienyl)-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(P-36:5); PE(P-16:1/20:4) |
Exact Mass | |
Formula | C41H72NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] |
PubChem Compound ID (CID) | - |
InChIKey | AUEPBGVVPUFEHD-JUZUFWDZSA-N |
InChI | InChI=1S/C41H72NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-41(43)4 9-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-23-18-16-14-12-10-8-6-4- 2/h10,12-13,15,17,19,21-22,26,28,33,36,40H,3-9,11,14,16,18,20,23-25,27,29-32,34- 35,37-39,42H2,1-2H3,(H,44,45)/b12-10-,15-13+,19-17-,22-21-,28-26-,36-33-/t40-/m1 /s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)CO/C=C\CCCCCCCC/C =C\CCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |