In-Silico Structure Database (LMISSD)

Common Name
PA(O-14:0/26:2(5E,9Z))
Systematic Name
1-tetradecyl-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10029AB5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
742.587643
Formula
C43H83O7P
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-alkyl,2-acylglycerophosphates [GP1002]

String Representations

InChiKey (Click to copy)
YIURQKPDRALODY-XZZUTFKISA-N
InChi (Click to copy)
InChI=1S/C43H83O7P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-43(44)50-42(41-49-51(45,46)47)40-48-39-37-35-33-31-29-16-14-12-10-8-6-4-2/h25-26,30,32,42H,3-24,27-29,31,33-41H2,1-2H3,(H2,45,46,47)/b26-25-,32-30+/t42-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCC

References

Other Databases