In-Silico Structure Database (LMISSD)
Common Name
PE(10:0/20:3(5Z,8Z,11Z))
Systematic Name
1-decanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02019ABG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
657.436957
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
Diacylglycerophosphoethanolamines [GP0201]
String Representations
InChiKey (Click to copy)
REXPMFANUSJKCM-FMCJHSAASA-N
InChi (Click to copy)
InChI=1S/C35H64NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-10-8-6-4-2/h14-15,17-18,20,22,33H,3-13,16,19,21,23-32,36H2,1-2H3,(H,39,40)/b15-14-,18-17-,22-20-/t33-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCC)=O