In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07059ABH
Common NameLPIP[3'](20:3(8Z,11Z,14Z)/0:0)
Systematic Name1-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms-
Exact Mass
702.2782 (neutral)    Calculate m/z:
FormulaC29H52O15P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassMonoacylglycerophosphoinositol monophosphates [GP0705]
PubChem Compound ID (CID)-
InChIKeyDXSJNHFWGVIRLS-XJHVUMRZSA-N
InChIInChI=1S/C29H52O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)41-2
0-22(30)21-42-46(39,40)44-29-26(34)24(32)25(33)28(27(29)35)43-45(36,37)38/h6-7,9
-10,12-13,22,24-30,32-35H,2-5,8,11,14-21H2,1H3,(H,39,40)(H2,36,37,38)/b7-6-,10-9
-,13-12-/t22-,24?,25?,26?,27?,28-,29+/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(CCCCCC/C=CC/
C=CC/C=CCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)