In-Silico Structure Database (LMISSD)
Common Name
PE(10:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-decanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02019AA6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
627.390007
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
Diacylglycerophosphoethanolamines [GP0201]
String Representations
InChiKey (Click to copy)
WYYBGNHITCKSFH-NLSQDVQCSA-N
InChi (Click to copy)
InChI=1S/C33H58NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34)29-39-32(35)25-23-21-19-10-8-6-4-2/h5,7,11-12,14-15,17-18,31H,3-4,6,8-10,13,16,19-30,34H2,1-2H3,(H,37,38)/b7-5-,12-11-,15-14-,18-17-/t31-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCC)=O