In-Silico Structure database (LMISSD)
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LM ID | LMGP02039DE2 |
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Common Name | PE(P-14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(P-36:6); PE(P-14:0/22:6) |
Exact Mass | |
Formula | C41H70NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] |
PubChem Compound ID (CID) | - |
InChIKey | IUYWTEBXZWNWBI-MORVUFBLSA-N |
InChI | InChI=1S/C41H70NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-4 1(43)49-40(39-48-50(44,45)47-37-35-42)38-46-36-33-31-29-27-25-16-14-12-10-8-6-4- 2/h5,7,11,13,17-18,20-21,23-24,28,30,33,36,40H,3-4,6,8-10,12,14-16,19,22,25-27,2 9,31-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b7-5-,13-11-,18-17-,21-20-,24-23-,30-28 -,36-33-/t40-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\C CCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |