In-Silico Structure Database (LMISSD)
Common Name
PE(P-16:1(9Z)/12:0)
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-dodecanoyl-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039AEY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
617.442042
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]
String Representations
InChiKey (Click to copy)
JECLLAZQSGOMNL-WHAOXSBGSA-N
InChi (Click to copy)
InChI=1S/C33H64NO7P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-28-38-30-32(31-40-42(36,37)39-29-27-34)41-33(35)26-24-22-20-18-12-10-8-6-4-2/h13-14,25,28,32H,3-12,15-24,26-27,29-31,34H2,1-2H3,(H,36,37)/b14-13-,28-25-/t32-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC