In-Silico Structure Database (LMISSD)

Common Name
LPIP2[3',5'](O-22:1(9Z)/0:0)
Systematic Name
1-(9Z-docosenyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08059AA3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
800.327819
Formula
C31H63O17P3
Download as...
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]
Glycerophosphoinositol bisphosphates [GP08]
Monoalkylglycerophosphoinositol bisphosphates [GP0805]

String Representations

InChiKey (Click to copy)
JJAXATKOCDUISO-ZUORLPKFSA-N
InChi (Click to copy)
InChI=1S/C31H63O17P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-44-23-25(32)24-45-51(42,43)48-31-27(34)29(46-49(36,37)38)26(33)30(28(31)35)47-50(39,40)41/h13-14,25-35H,2-12,15-24H2,1H3,(H,42,43)(H2,36,37,38)(H2,39,40,41)/b14-13-/t25-,26?,27?,28?,29-,30?,31-/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COCCCCCCCC/C=CCCCCCCCCCCCC

References

Other Databases