In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09019AQO
Common NamePIP3[3',4',5'](15:1(9Z)/16:1(7Z))
Systematic Name1-(9Z-pentadecenoyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4,5-
trisphosphate
SynonymsPIP3[3',4',5'](31:2); PIP3(15:1_16:1)
Exact Mass
1032.3779 (neutral)    Calculate m/z:
FormulaC40H76O22P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub ClassDiacylglycerophosphoinositol trisphosphates [GP0901]
PubChem Compound ID (CID)-
InChIKeyGGVZISJDUUVNIW-CFLIVNLXSA-N
InChIInChI=1S/C40H76O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)58-32(30-56-
33(41)28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-57-66(54,55)62-37-35(43)38(59-63(
45,46)47)40(61-65(51,52)53)39(36(37)44)60-64(48,49)50/h12,14,17,19,32,35-40,43-4
4H,3-11,13,15-16,18,20-31H2,1-2H3,(H,54,55)(H2,45,46,47)(H2,48,49,50)(H2,51,52,5
3)/b14-12-,19-17-/t32-,35?,36?,37-,38+,39?,40?/m1/s1
SMILES[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=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=C\CCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)