In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02039DDR |
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Common Name | PE(P-14:0/17:1(9Z)) |
Systematic Name | 1-(1Z-tetradecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(P-31:1); PE(P-14:0/17:1) |
Exact Mass | |
Formula | C36H70NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203] |
PubChem Compound ID (CID) | - |
InChIKey | PCTQEQPEDKIPAY-XECPJJCISA-N |
InChI | InChI=1S/C36H70NO7P/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/h15,17,28,31, 35H,3-14,16,18-27,29-30,32-34,37H2,1-2H3,(H,39,40)/b17-15-,31-28-/t35-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |