In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP09019ABM
Common NamePIP3[3',4',5'](10:0/20:4(6E,8Z,11Z,14Z))
Systematic Name1-decanoyl-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4,
5-trisphosphate
SynonymsPIP3[3',4',5'](30:4); PIP3(10:0_20:4)
Exact Mass
1014.3309 (neutral)    Calculate m/z:
FormulaC39H70O22P4
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol trisphosphates [GP09]
Sub ClassDiacylglycerophosphoinositol trisphosphates [GP0901]
PubChem Compound ID (CID)-
InChIKeyOTKWHMQGRORJPU-DPGONVRPSA-N
InChIInChI=1S/C39H70O22P4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)
57-31(29-55-32(40)27-25-23-21-10-8-6-4-2)30-56-65(53,54)61-36-34(42)37(58-62(44,
45)46)39(60-64(50,51)52)38(35(36)43)59-63(47,48)49/h11-12,14-15,17-20,31,34-39,4
2-43H,3-10,13,16,21-30H2,1-2H3,(H,53,54)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/
b12-11-,15-14-,18-17-,20-19+/t31-,34?,35?,36-,37+,38?,39?/m1/s1
SMILES[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=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)