In-Silico Structure Database (LMISSD)

Common Name
LPIP2[3',4'](22:6(4Z,7Z,10Z,12E,16Z,19Z)/0:0)
Systematic Name
1-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08049ABW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
804.228834
Formula
C31H51O18P3
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]
Monoacylglycerophosphoinositol bisphosphates [GP0804]

String Representations

InChiKey (Click to copy)
GIELPVXBPNDHNV-ZTFFGCSGSA-N
InChi (Click to copy)
InChI=1S/C31H51O18P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(33)45-22-24(32)23-46-52(43,44)49-29-26(34)27(35)30(47-50(37,38)39)31(28(29)36)48-51(40,41)42/h3-4,6-7,10-13,15-16,18-19,24,26-32,34-36H,2,5,8-9,14,17,20-23H2,1H3,(H,43,44)(H2,37,38,39)(H2,40,41,42)/b4-3-,7-6-,11-10+,13-12-,16-15-,19-18-/t24-,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(OP(=O)(O)O)C(O)C1O)COC(CC/C=CC/C=CC/C=CC=CCC/C=CC/C=CCC)=O

References

Other Databases