In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09019AAF
Common NamePIP3[3',4',5'](10:0/14:1(9Z))
Systematic Name1-decanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-
trisphosphate
SynonymsPIP3[3',4',5'](24:1); PIP3(10:0_14:1)
Exact Mass
936.2840 (neutral)    Calculate m/z:
FormulaC33H64O22P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub ClassDiacylglycerophosphoinositol trisphosphates [GP0901]
PubChem Compound ID (CID)-
InChIKeyVOTXKYOPCWAWRV-JFFRXVTJSA-N
InChIInChI=1S/C33H64O22P4/c1-3-5-7-9-11-12-13-14-16-18-20-22-27(35)51-25(23-49-26(34)
21-19-17-15-10-8-6-4-2)24-50-59(47,48)55-30-28(36)31(52-56(38,39)40)33(54-58(44,
45)46)32(29(30)37)53-57(41,42)43/h9,11,25,28-33,36-37H,3-8,10,12-24H2,1-2H3,(H,4
7,48)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/b11-9-/t25-,28?,29?,30-,31+,32?,33?
/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCC)=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(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)