In-Silico Structure Database (LMISSD)

Common Name
LPIP3[3',4',5'](18:1(9Z)/0:0)
Systematic Name
1-(9Z-octadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049AAX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
838.210817
Formula
C27H54O21P4
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 trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]

String Representations

InChiKey (Click to copy)
RSLVKYVGXWEYHI-AFJJFQJXSA-N
InChi (Click to copy)
InChI=1S/C27H54O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)43-18-20(28)19-44-52(41,42)48-24-22(30)25(45-49(32,33)34)27(47-51(38,39)40)26(23(24)31)46-50(35,36)37/h9-10,20,22-28,30-31H,2-8,11-19H2,1H3,(H,41,42)(H2,32,33,34)(H2,35,36,37)(H2,38,39,40)/b10-9-/t20-,22?,23?,24-,25+,26?,27?/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(OP(=O)(O)O)C1O)COC(CCCCCCC/C=CCCCCCCCC)=O

References

Other Databases