In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02039DDS |
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Common Name | PE(P-14:0/17:2(9Z,12Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3- phosphoethanolamine |
Synonyms | PE(P-31:2); PE(P-14:0/17:2) |
Exact Mass | |
Formula | C36H68NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] |
PubChem Compound ID (CID) | - |
InChIKey | WSRDOHKTNCKBDI-AOPOOJGBSA-N |
InChI | InChI=1S/C36H68NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-36(38)44-35(34-4 3-45(39,40)42-32-30-37)33-41-31-28-26-24-22-20-16-14-12-10-8-6-4-2/h9,11,15,17,2 8,31,35H,3-8,10,12-14,16,18-27,29-30,32-34,37H2,1-2H3,(H,39,40)/b11-9-,17-15-,31 -28-/t35-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |