In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06019ABF
Common NamePI(10:0/20:2(5Z,8Z))
Systematic Name1-decanoyl-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoinositol
SynonymsPI(30:2); PI(10:0_20:2)
Exact Mass
778.4632 (neutral)    Calculate m/z:
FormulaC39H71O13P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassDiacylglycerophosphoinositols [GP0601]
PubChem Compound ID (CID)-
InChIKeyQIGZDWREEWTXNP-UKQMKDMNSA-N
InChIInChI=1S/C39H71O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(41)5
1-31(29-49-32(40)27-25-23-21-10-8-6-4-2)30-50-53(47,48)52-39-37(45)35(43)34(42)3
6(44)38(39)46/h17-18,20,22,31,34-39,42-46H,3-16,19,21,23-30H2,1-2H3,(H,47,48)/b1
8-17-,22-20-/t31-,34?,35-,36?,37?,38?,39-/m1/s1
SMILES[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=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)