In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07069AA6
Common NameLPIP[5'](O-16:1(11Z)/0:0)
Systematic Name1-(11Z-hexadecenyl)-sn-glycero-3-phosphoinositol-5-phosphate
Synonyms-
Exact Mass
636.2676 (neutral)    Calculate m/z:
FormulaC25H50O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassMonoalkylglycerophosphoinositol monophosphates [GP0706]
PubChem Compound ID (CID)-
InChIKeyNDYDCMYGEDQYAM-CKRUUQKKSA-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/h5-6,19-30H,2-4,7-18H
2,1H3,(H,34,35)(H2,31,32,33)/b6-5-/t19-,20-,21?,22?,23?,24?,25-/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COCCCCCCCCCC/C=C
CCCC
MS Spectra-     
StatusActive (generated by computational methods)