In-Silico Structure Database (LMISSD)

O O H O O O P HO O OH HO H
Common Name
PG(P-22:0/11:0)
Systematic Name
1-(1Z-docosenyl)-2-undecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039AU2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
720.530523
Formula
C39H77O9P
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]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]

String Representations

InChiKey (Click to copy)
UJWWGLTUQQGLCW-NUVXSZCSSA-N
InChi (Click to copy)
InChI=1S/C39H77O9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-45-35-38(36-47-49(43,44)46-34-37(41)33-40)48-39(42)31-29-27-25-12-10-8-6-4-2/h30,32,37-38,40-41H,3-29,31,33-36H2,1-2H3,(H,43,44)/b32-30-/t37-,38+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCCCCCCCCCCCCCC

References

Other Databases