In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07019ABF
Common NamePIP[3'](10:0/20:2(5Z,8Z))
Systematic Name1-decanoyl-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
SynonymsPIP[3'](30:2); PIP(10:0_20:2)
Exact Mass
858.4296 (neutral)    Calculate m/z:
FormulaC39H72O16P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassDiacylglycerophosphoinositol monophosphates [GP0701]
PubChem Compound ID (CID)-
InChIKeyNCESZKUMNSTLKD-LKTREGCVSA-N
InChIInChI=1S/C39H72O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)
53-31(29-51-32(40)27-25-23-21-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)
38(37(39)45)54-56(46,47)48/h17-18,20,22,31,34-39,42-45H,3-16,19,21,23-30H2,1-2H3
,(H,49,50)(H2,46,47,48)/b18-17-,22-20-/t31-,34?,35?,36?,37?,38-,39+/m1/s1
SMILES[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)
O)C(O)C(O)C1O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)