In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07079AAZ
Common NameLPIP[4'](P-22:1(9Z)/0:0)
Systematic Name1-(1Z,9Z-docosenyl)-sn-glycero-3-phosphoinositol-4-phosphate
Synonyms-
Exact Mass
718.3458 (neutral)    Calculate m/z:
FormulaC31H60O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub Class1Z-alkenylglycerophosphoinositol monophosphates [GP0707]
PubChem Compound ID (CID)-
InChIKeyBZWYOWSPOLYTCN-DHTWFMEWSA-N
InChIInChI=1S/C31H60O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-4
2-23-25(32)24-43-47(40,41)45-31-28(35)26(33)30(27(34)29(31)36)44-46(37,38)39/h13
-14,21-22,25-36H,2-12,15-20,23-24H2,1H3,(H,40,41)(H2,37,38,39)/b14-13-,22-21-/t2
5-,26+,27?,28?,29?,30?,31-/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
CCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)