In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08059ABD
Common NameLPIP2[4',5'](O-20:1(9Z)/0:0)
Systematic Name1-(9Z-eicosenyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
Synonyms-
Exact Mass
772.2965 (neutral)    Calculate m/z:
FormulaC29H59O17P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassMonoalkylglycerophosphoinositol bisphosphates [GP0805]
PubChem Compound ID (CID)-
InChIKeyBXHQOJZEQKEAOF-XLLRPFTGSA-N
InChIInChI=1S/C29H59O17P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-42-21-2
3(30)22-43-49(40,41)46-27-24(31)25(32)28(44-47(34,35)36)29(26(27)33)45-48(37,38)
39/h11-12,23-33H,2-10,13-22H2,1H3,(H,40,41)(H2,34,35,36)(H2,37,38,39)/b12-11-/t2
3-,24?,25+,26?,27-,28?,29?/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COCCCCC
CCC/C=CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)