In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06019AAV
Common NamePI(10:0/18:1(7Z))
Systematic Name1-decanoyl-2-(7Z-octadecenoyl)-sn-glycero-3-phosphoinositol
SynonymsPI(28:1); PI(10:0_18:1)
Exact Mass
752.4476 (neutral)    Calculate m/z:
FormulaC37H69O13P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassDiacylglycerophosphoinositols [GP0601]
PubChem Compound ID (CID)-
InChIKeyZVKZPMYZDWCXMU-GEQHLNGUSA-N
InChIInChI=1S/C37H69O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)49-29(2
7-47-30(38)25-23-21-19-10-8-6-4-2)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)3
6(37)44/h16-17,29,32-37,40-44H,3-15,18-28H2,1-2H3,(H,45,46)/b17-16-/t29-,32?,33-
,34?,35?,36?,37-/m1/s1
SMILES[C@]([H])(OC(CCCCC/C=C\CCCCCCCCCC)=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)