In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AK4 |
---|---|
Common Name | PE(14:1(9Z)/4:1(3E)) |
Systematic Name | 1-(9Z-tetradecenoyl)-2-3E-butenoyl-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(18:2); PE(14:1/4:1) |
Exact Mass | |
Formula | C23H42NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | BZQSFBWCGABHBY-GIWCCYDRSA-N |
InChI | InChI=1S/C23H42NO8P/c1-3-5-6-7-8-9-10-11-12-13-14-16-22(25)29-19-21(32-23(26)15- 4-2)20-31-33(27,28)30-18-17-24/h4,7-8,21H,2-3,5-6,9-20,24H2,1H3,(H,27,28)/b8-7-/ t21-/m1/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([H])(OC(CC=C)=O)COC(CCCCCCC/C=C\CCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |