In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08019AAD
Common NamePIP2[3',4'](10:0/13:0)
Systematic Name1-decanoyl-2-tridecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
SynonymsPIP2[3',4'](23:0); PIP2(10:0_13:0)
Exact Mass
844.3176 (neutral)    Calculate m/z:
FormulaC32H63O19P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassDiacylglycerophosphoinositol bisphosphates [GP0801]
PubChem Compound ID (CID)-
InChIKeyCYRXWEWWOSZAGP-JLKKDFRPSA-N
InChIInChI=1S/C32H63O19P3/c1-3-5-7-9-11-12-13-15-17-19-21-26(34)48-24(22-46-25(33)20-
18-16-14-10-8-6-4-2)23-47-54(44,45)51-30-27(35)28(36)31(49-52(38,39)40)32(29(30)
37)50-53(41,42)43/h24,27-32,35-37H,3-23H2,1-2H3,(H,44,45)(H2,38,39,40)(H2,41,42,
43)/t24-,27?,28?,29?,30+,31?,32+/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCC)=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)