In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09069AAI
Common NameLPIP3[3',4',5'](P-20:1(11Z)/0:0)
Systematic Name1-(1Z,11Z-eicosadienyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
Synonyms-
Exact Mass
850.2472 (neutral)    Calculate m/z:
FormulaC29H58O20P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub Class1Z-alkenylglycerophosphoinositol trisphosphates [GP0906]
PubChem Compound ID (CID)-
InChIKeyQRTMXPAUEUDBLD-DXUGSLLRSA-N
InChIInChI=1S/C29H58O20P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-44-21-2
3(30)22-45-53(42,43)49-26-24(31)27(46-50(33,34)35)29(48-52(39,40)41)28(25(26)32)
47-51(36,37)38/h9-10,19-20,23-32H,2-8,11-18,21-22H2,1H3,(H,42,43)(H2,33,34,35)(H
2,36,37,38)(H2,39,40,41)/b10-9-,20-19-/t23-,24?,25?,26-,27+,28?,29?/m1/s1
SMILES[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)C1
O)CO/C=CCCCCCCCC/C=CCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)