In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06019AA1
Common NamePI(10:0/18:2(9E,12E))
Systematic Name1-decanoyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoinositol
SynonymsPI(28:2); PI(10:0_18:2)
Exact Mass
750.4319 (neutral)    Calculate m/z:
FormulaC37H67O13P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassDiacylglycerophosphoinositols [GP0601]
PubChem Compound ID (CID)-
InChIKeyHRRJKGWAOPJTSL-ZMCIASQMSA-N
InChIInChI=1S/C37H67O13P/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/h11-12,14-15,29,32-37,40-44H,3-10,13,16-28H2,1-2H3,(H,45,46)/b12-11+,15-
14+/t29-,32?,33-,34?,35?,36?,37-/m1/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C
1O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)