In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08029AAH
Common NamePIP2[3',4'](O-14:0/15:1(9Z))
Systematic Name1-tetradecyl-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
SynonymsPIP2[3',4'](O-29:1); PIP2(O-14:0_15:1)
Exact Mass
912.4166 (neutral)    Calculate m/z:
FormulaC38H75O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub Class1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
PubChem Compound ID (CID)-
InChIKeyMOEIIFAUOAKURB-TXHHJMHFSA-N
InChIInChI=1S/C38H75O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(39)53-31(29-51-28-
26-24-22-20-18-16-14-12-10-8-6-4-2)30-52-59(49,50)56-36-33(40)34(41)37(54-57(43,
44)45)38(35(36)42)55-58(46,47)48/h11,13,31,33-38,40-42H,3-10,12,14-30H2,1-2H3,(H
,49,50)(H2,43,44,45)(H2,46,47,48)/b13-11-/t31-,33?,34?,35?,36+,37?,38+/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=
O)(O)O)C(O)C1O)COCCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)