In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07019ABJ
Common NamePIP[3'](10:0/20:4(5Z,8Z,10E,14Z))
Systematic Name1-decanoyl-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3-
phosphate
SynonymsPIP[3'](30:4); PIP(10:0_20:4)
Exact Mass
854.3983 (neutral)    Calculate m/z:
FormulaC39H68O16P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassDiacylglycerophosphoinositol monophosphates [GP0701]
PubChem Compound ID (CID)-
InChIKeyJFBYASNLXAQXQM-BLUAOIFWSA-N
InChIInChI=1S/C39H68O16P2/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/h11-12,15-18,20,22,31,34-39,42-45H,3-10,13-14,19,21,2
3-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b12-11-,16-15+,18-17-,22-20-/t31-,34?,35?,36
?,37?,38-,39+/m1/s1
SMILES[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=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)