In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07079AAQ
Common NameLPIP[4'](P-16:1(9Z)/0:0)
Systematic Name1-(1Z,9Z-hexadecadienyl)-sn-glycero-3-phosphoinositol-4-phosphate
Synonyms-
Exact Mass
634.2519 (neutral)    Calculate m/z:
FormulaC25H48O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub Class1Z-alkenylglycerophosphoinositol monophosphates [GP0707]
PubChem Compound ID (CID)-
InChIKeyRIBOOGDLVQMQKZ-GATURLOVSA-N
InChIInChI=1S/C25H48O14P2/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)24(21(28)23(25)30)38-40(31,32)33/h7-8,15-16,19-30H,2-6
,9-14,17-18H2,1H3,(H,34,35)(H2,31,32,33)/b8-7-,16-15-/t19-,20+,21?,22?,23?,24?,2
5-/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
CCCCCC
MS Spectra-     
StatusActive (generated by computational methods)