In-Silico Structure Database (LMISSD)

HO O H O O O NH 2 P O O
Common Name
PE(P-14:0/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039DER
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
695.488992
Formula
C39H70NO7P
Predict MS/MS spectrum (Neg. Mode)
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Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoethanolamines [GP02]
1-(1Z-alkenyl),2-acylglycerophosphoethanolamines [GP0203]

String Representations

InChiKey (Click to copy)
AXPKDEWCMWREKS-MRRXUSMCSA-N
InChi (Click to copy)
InChI=1S/C39H70NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-22,24,31,34,38H,3-10,12,14-16,19,23,25-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b13-11-,18-17-,21-20-,24-22+,34-31-/t38-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCC

References

Other Databases