In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07069AAW
Common NameLPIP[4'](O-20:0/0:0)
Systematic Name1-eicosyl-sn-glycero-3-phosphoinositol-4-phosphate
Synonyms-
Exact Mass
694.3458 (neutral)    Calculate m/z:
FormulaC29H60O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassMonoalkylglycerophosphoinositol monophosphates [GP0706]
PubChem Compound ID (CID)-
InChIKeyIBOWPFQAFWVAHC-UHRNBYFESA-N
InChIInChI=1S/C29H60O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40-21-2
3(30)22-41-45(38,39)43-29-26(33)24(31)28(25(32)27(29)34)42-44(35,36)37/h23-34H,2
-22H2,1H3,(H,38,39)(H2,35,36,37)/t23-,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(O)C1O)COCCCCCCCCCCCCCC
CCCCCC
MS Spectra-     
StatusActive (generated by computational methods)