In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07079AAN
Common NameLPIP[4'](P-14:0/0:0)
Systematic Name1-(1Z-tetradecenyl)-sn-glycero-3-phosphoinositol-4-phosphate
Synonyms-
Exact Mass
608.2363 (neutral)    Calculate m/z:
FormulaC23H46O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub Class1Z-alkenylglycerophosphoinositol monophosphates [GP0707]
PubChem Compound ID (CID)-
InChIKeyGBBDNJIJDLGFEJ-FEUNGHQXSA-N
InChIInChI=1S/C23H46O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-15-17(24)16-35-39(32,3
3)37-23-20(27)18(25)22(19(26)21(23)28)36-38(29,30)31/h13-14,17-28H,2-12,15-16H2,
1H3,(H,32,33)(H2,29,30,31)/b14-13-/t17-,18+,19?,20?,21?,22?,23-/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)CO/C=CCCCCCCCCCC
CC
MS Spectra-     
StatusActive (generated by computational methods)