In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20059ABN
Common NamePI(10:0/4:0)
Systematic Name1-decanoyl-2-butyryl-sn-glycero-3-phosphoinositol
SynonymsPI(14:0); PI(10:0/4:0)
Exact Mass
558.2441 (neutral)    Calculate m/z:
FormulaC23H43O13P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoinositols [GP2005]
PubChem Compound ID (CID)-
InChIKeyQIICEOMWTOINMY-CTPBXSAOSA-N
InChIInChI=1S/C23H43O13P/c1-3-5-6-7-8-9-10-12-16(24)33-13-15(35-17(25)11-4-2)14-34-37
(31,32)36-23-21(29)19(27)18(26)20(28)22(23)30/h15,18-23,26-30H,3-14H2,1-2H3,(H,3
1,32)/t15-,18?,19-,20?,21?,22?,23-/m1/s1
SMILES[C@]([H])(OC(CCC)=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)