In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07059AA5
Common NameLPIP[3'](18:3(9Z,12Z,15Z)/0:0)
Systematic Name1-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms-
Exact Mass
674.2469 (neutral)    Calculate m/z:
FormulaC27H48O15P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassMonoacylglycerophosphoinositol monophosphates [GP0705]
PubChem Compound ID (CID)-
InChIKeyFHOUACREPDXFPQ-OEEMIXRKSA-N
InChIInChI=1S/C27H48O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)39-18-20(2
8)19-40-44(37,38)42-27-24(32)22(30)23(31)26(25(27)33)41-43(34,35)36/h3-4,6-7,9-1
0,20,22-28,30-33H,2,5,8,11-19H2,1H3,(H,37,38)(H2,34,35,36)/b4-3-,7-6-,10-9-/t20-
,22?,23?,24?,25?,26-,27+/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCC/C=CC
/C=CC/C=CCC)=O
MS Spectra-     
StatusActive (generated by computational methods)