In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06019ABQ
Common NamePI(10:0/22:0)
Systematic Name1-decanoyl-2-docosanoyl-sn-glycero-3-phosphoinositol
SynonymsPI(32:0); PI(10:0_22:0)
Exact Mass
810.5258 (neutral)    Calculate m/z:
FormulaC41H79O13P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassDiacylglycerophosphoinositols [GP0601]
PubChem Compound ID (CID)-
InChIKeyYEKHYFBWESKKMV-NBURIUCMSA-N
InChIInChI=1S/C41H79O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-3
5(43)53-33(31-51-34(42)29-27-25-23-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)3
6(44)38(46)40(41)48/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36?,37-,38?,39?
,40?,41-/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O
)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)