In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06019AAL
Common NamePI(10:0/17:0)
Systematic Name1-decanoyl-2-heptadecanoyl-sn-glycero-3-phosphoinositol
SynonymsPI(27:0); PI(10:0_17:0)
Exact Mass
740.4476 (neutral)    Calculate m/z:
FormulaC36H69O13P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassDiacylglycerophosphoinositols [GP0601]
PubChem Compound ID (CID)-
InChIKeySCCADVWLWMRZAJ-MWLHZSNFSA-N
InChIInChI=1S/C36H69O13P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-30(38)48-28(26-4
6-29(37)24-22-20-18-10-8-6-4-2)27-47-50(44,45)49-36-34(42)32(40)31(39)33(41)35(3
6)43/h28,31-36,39-43H,3-27H2,1-2H3,(H,44,45)/t28-,31?,32-,33?,34?,35?,36-/m1/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCCCC)=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)