In-Silico Structure Database (LMISSD)

Common Name
PA(P-16:1(11Z)/26:2(5E,9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10039AEG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
766.587643
Formula
C45H83O7P
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]
Glycerophosphates [GP10]
1-(1Z-alkenyl),2-acylglycerophosphates [GP1003]

String Representations

InChiKey (Click to copy)
IGHHUMMIMSUKSO-PUVDTREPSA-N
InChi (Click to copy)
InChI=1S/C45H83O7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-45(46)52-44(43-51-53(47,48)49)42-50-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h10,12,26-27,32,34,39,41,44H,3-9,11,13-25,28-31,33,35-38,40,42-43H2,1-2H3,(H2,47,48,49)/b12-10-,27-26-,34-32+,41-39-/t44-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC

References

Other Databases