In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06059AAL
Common NameLPI(17:0/0:0)
Systematic Name1-heptadecanoyl-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
586.3118 (neutral)    Calculate m/z:
FormulaC26H51O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoacylglycerophosphoinositols [GP0605]
PubChem Compound ID (CID)-
InChIKeyKNQQEDTUCAXLKN-YKQQWIMLSA-N
InChIInChI=1S/C26H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(28)36-17-19(27)18
-37-39(34,35)38-26-24(32)22(30)21(29)23(31)25(26)33/h19,21-27,29-33H,2-18H2,1H3,
(H,34,35)/t19-,21?,22-,23?,24?,25?,26-/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)