In-Silico Structure Database (LMISSD)

Common Name
PE(P-16:1(11Z)/14:1(9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoethanolamine
LM ID
LMGP02039ACQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
643.457692
Formula
C35H66NO7P
Predict MS/MS spectrum (Neg. Mode)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
YSQNHSAJZPERTN-YIYFZLJISA-N
InChi (Click to copy)
InChI=1S/C35H66NO7P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-30-40-32-34(33-42-44(38,39)41-31-29-36)43-35(37)28-26-24-22-20-18-14-12-10-8-6-4-2/h9-12,27,30,34H,3-8,13-26,28-29,31-33,36H2,1-2H3,(H,38,39)/b11-9-,12-10-,30-27-/t34-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)OCCN)([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC

References

Other Databases