In-Silico Structure Database (LMISSD)

Common Name
PA(O-20:1(9Z)/20:3(8Z,11Z,14Z))
Systematic Name
1-(9Z-eicosenyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphate
LM ID
LMGP10029AYJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
738.556343
Formula
C43H79O7P
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)
SBFKXHSRFCNPNJ-CWWNBUIKSA-N
InChi (Click to copy)
InChI=1S/C43H79O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-48-40-42(41-49-51(45,46)47)50-43(44)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,23-24,26,42H,3-11,13,15-17,19,22,25,27-41H2,1-2H3,(H2,45,46,47)/b14-12-,20-18-,23-21-,26-24-/t42-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCC

References

Other Databases