Structure database (LMSD)

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LM IDLMPR01010008
Common NameIsopentenyl pyrophosphate (W)
Systematic Name3-methylbut-3-enyl pyrophosphate
SynonymsIsopentenyl-diphosphate; IPP
Exact Mass
246.0058 (neutral)    Calculate m/z:
FormulaC5H12O7P2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC5 isoprenoids (hemiterpenes) [PR0101]
PubChem CID1195
KEGG IDC00129
HMDB IDHMDB0001347
CHEBI ID16584
SWISSLIPIDS IDSLM:000000303
InChIKeyNUHSROFQTUXZQQ-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/h1,3-4H2,2H3,(H,9,10)(H2,6,
7,8)
SMILESO(P(=O)(O)OP(O)(=O)O)CCC(C)=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
193.61Topological Polar
Surface Area
113.29Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP1.98Molar
Refractivity
48.42