In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07059AAA
Common NameLPIP[3'](10:0/0:0)
Systematic Name1-decanoyl-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms-
Exact Mass
568.1686 (neutral)    Calculate m/z:
FormulaC19H38O15P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassMonoacylglycerophosphoinositol monophosphates [GP0705]
PubChem Compound ID (CID)-
InChIKeyYJTAOYGWDPRHJK-GIXVVADHSA-N
InChIInChI=1S/C19H38O15P2/c1-2-3-4-5-6-7-8-9-13(21)31-10-12(20)11-32-36(29,30)34-19-1
6(24)14(22)15(23)18(17(19)25)33-35(26,27)28/h12,14-20,22-25H,2-11H2,1H3,(H,29,30
)(H2,26,27,28)/t12-,14?,15?,16?,17?,18-,19+/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)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)