In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07079AAW
Common NameLPIP[4'](P-20:1(9Z)/0:0)
Systematic Name1-(1Z,9Z-eicosadienyl)-sn-glycero-3-phosphoinositol-4-phosphate
Synonyms-
Exact Mass
690.3145 (neutral)    Calculate m/z:
FormulaC29H56O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub Class1Z-alkenylglycerophosphoinositol monophosphates [GP0707]
PubChem Compound ID (CID)-
InChIKeyBTHWDZNOQYHUQA-DWAUQVORSA-N
InChIInChI=1S/C29H56O14P2/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/h11-12,19
-20,23-34H,2-10,13-18,21-22H2,1H3,(H,38,39)(H2,35,36,37)/b12-11-,20-19-/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)CO/C=CCCCCCC/C=C
CCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)