In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP08049AAJ
Common NameLPIP2[3',4'](16:1(7Z)/0:0)
Systematic Name1-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
Synonyms-
Exact Mass
730.2132 (neutral)    Calculate m/z:
FormulaC25H49O18P3
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol bisphosphates [GP08]
Sub ClassMonoacylglycerophosphoinositol bisphosphates [GP0804]
PubChem Compound ID (CID)-
InChIKeyYVTWKZKBRCQVLJ-GYDPIAINSA-N
InChIInChI=1S/C25H49O18P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)39-16-18(26)17-4
0-46(37,38)43-23-20(28)21(29)24(41-44(31,32)33)25(22(23)30)42-45(34,35)36/h9-10,
18,20-26,28-30H,2-8,11-17H2,1H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/b10-9-/t18-,
20?,21?,22?,23+,24?,25+/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCC
CC/C=CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)