In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07079AAK
Common NameLPIP[3'](P-22:0/0:0)
Systematic Name1-(1Z-docosenyl)-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms-
Exact Mass
720.3615 (neutral)    Calculate m/z:
FormulaC31H62O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub Class1Z-alkenylglycerophosphoinositol monophosphates [GP0707]
PubChem Compound ID (CID)-
InChIKeyWFFZYZCANKPXBE-NKMKKNOUSA-N
InChIInChI=1S/C31H62O14P2/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)27(34)30(29(31)36)44-46(37,38)39/h21
-22,25-36H,2-20,23-24H2,1H3,(H,40,41)(H2,37,38,39)/b22-21-/t25-,26?,27?,28?,29?,
30-,31+/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)CO/C=CCCCCCCCCCC
CCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)