In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029ABG |
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Common Name | PE(O-14:0/20:3(5Z,8Z,11Z)) |
Systematic Name | 1-tetradecyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-34:3); PE(O-14:0/20:3) |
Exact Mass | |
Formula | C39H74NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | WWHUJUGALATRSO-GDDGCPKUSA-N |
InChI | InChI=1S/C39H74NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-39(41)4 7-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-16-14-12-10-8-6-4-2/h17- 18,20-21,24,26,38H,3-16,19,22-23,25,27-37,40H2,1-2H3,(H,42,43)/b18-17-,21-20-,26 -24-/t38-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |