In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08039AAO
Common NamePIP2[3',4'](P-16:0/18:0)
Systematic Name1-(1Z-hexadecenyl)-2-octadecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
SynonymsPIP2[3',4'](P-34:0); PIP2(P-16:0_18:0)
Exact Mass
982.4949 (neutral)    Calculate m/z:
FormulaC43H85O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoinositol bisphosphates [GP0803]
PubChem Compound ID (CID)-
InChIKeyCJMYLTFNOFMWEL-DDWULECXSA-N
InChIInChI=1S/C43H85O18P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(44)58-36(
34-56-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)35-57-64(54,55)61-41-38(45)39(
46)42(59-62(48,49)50)43(40(41)47)60-63(51,52)53/h31,33,36,38-43,45-47H,3-30,32,3
4-35H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b33-31-/t36-,38?,39?,40?,41+,42
?,43+/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=
O)(O)O)C(O)C1O)CO/C=C\CCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)