In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07079AAB
Common NameLPIP[3'](P-16:0/0:0)
Systematic Name1-(1Z-hexadecenyl)-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms-
Exact Mass
636.2676 (neutral)    Calculate m/z:
FormulaC25H50O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub Class1Z-alkenylglycerophosphoinositol monophosphates [GP0707]
PubChem Compound ID (CID)-
InChIKeyZQNAMYDSUIRSKA-GCBBLARRSA-N
InChIInChI=1S/C25H50O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-36-17-19(26)18-37-4
1(34,35)39-25-22(29)20(27)21(28)24(23(25)30)38-40(31,32)33/h15-16,19-30H,2-14,17
-18H2,1H3,(H,34,35)(H2,31,32,33)/b16-15-/t19-,20?,21?,22?,23?,24-,25+/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
CCCC
MS Spectra-     
StatusActive (generated by computational methods)