In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08019AA8
Common NamePIP2[3',4'](10:0/19:0)
Systematic Name1-decanoyl-2-nonadecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
SynonymsPIP2[3',4'](29:0); PIP2(10:0_19:0)
Exact Mass
928.4115 (neutral)    Calculate m/z:
FormulaC38H75O19P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassDiacylglycerophosphoinositol bisphosphates [GP0801]
PubChem Compound ID (CID)-
InChIKeyUWOKSCKBLJXJQX-YHZRJFCKSA-N
InChIInChI=1S/C38H75O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-32(40)54-
30(28-52-31(39)26-24-22-20-10-8-6-4-2)29-53-60(50,51)57-36-33(41)34(42)37(55-58(
44,45)46)38(35(36)43)56-59(47,48)49/h30,33-38,41-43H,3-29H2,1-2H3,(H,50,51)(H2,4
4,45,46)(H2,47,48,49)/t30-,33?,34?,35?,36+,37?,38+/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(
=O)(O)O)C(O)C1O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)