In-Silico Structure database (LMISSD)
| |
LM ID | LMGP02029AAM |
---|---|
Common Name | PE(O-14:0/17:1(9Z)) |
Systematic Name | 1-tetradecyl-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(O-31:1); PE(O-14:0/17:1) |
Exact Mass | |
Formula | C36H72NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphoethanolamines [GP02] |
Sub Class | 1-alkyl,2-acylglycerophosphoethanolamines [GP0202] |
PubChem Compound ID (CID) | - |
InChIKey | AKKKPYHJBMFWBH-SFENZSGWSA-N |
InChI | InChI=1S/C36H72NO7P/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/h15,17,35H,3- 14,16,18-34,37H2,1-2H3,(H,39,40)/b17-15-/t35-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COCCCCCCCCCCCCCC |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |