Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR01010001
Common NameDimethylallyl pyrophosphate (W)
Systematic Name3-methylbut-2-enyl pyrophosphate
SynonymsDimethylallyl-diphosphate; DMAPP
Exact Mass
246.0058 (neutral)    Calculate m/z:
FormulaC5H12O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC5 isoprenoids (hemiterpenes) [PR0101]
LIPIDBANK IDIIP0002
PubChem Compound ID (CID)647
KEGG IDC00235
HMDB IDHMDB01120
CHEBI ID16057
InChIKeyCBIDRCWHNCKSTO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6
,7,8)
SMILESCC(C)=CCOP(O)(=O)OP(O)(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
193.61Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP1.98Molar
Refractivity
48.42    
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