In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08039AAA
Common NamePIP2[3',4'](P-16:0/10:0)
Systematic Name1-(1Z-hexadecenyl)-2-decanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
SynonymsPIP2[3',4'](P-26:0); PIP2(P-16:0_10:0)
Exact Mass
870.3697 (neutral)    Calculate m/z:
FormulaC35H69O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
PubChem Compound ID (CID)-
InChIKeyHGWLOTWLKRAAGK-FPYRAVBHSA-N
InChIInChI=1S/C35H69O18P3/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-48-26-28(50-29(
36)24-22-20-18-10-8-6-4-2)27-49-56(46,47)53-33-30(37)31(38)34(51-54(40,41)42)35(
32(33)39)52-55(43,44)45/h23,25,28,30-35,37-39H,3-22,24,26-27H2,1-2H3,(H,46,47)(H
2,40,41,42)(H2,43,44,45)/b25-23-/t28-,30?,31?,32?,33+,34?,35+/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C
(O)C1O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)