Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110041
Identification
Name: dimethylallyl diphosphate
Description:Not Available
Structure
Thumb
Synonyms:
  • dimethylallyl-diphosphate
  • prenyl-diphosphate
  • δ-prenyl diphosphate
  • δ2-isopentenyl-diphosphate
  • 2-isopentenyl diphosphate
  • prenyl diphosphate
  • DMAPP
  • DPP
  • di-CH3-allyl-PPi
  • dimethylallyl-PP
  • dimethylallyl-PPi
  • DMPP
  • dimethylallyl pyrophosphate
Chemical Formula: C5H9O7P2
Average Molecular Weight: 246.0058257599
Monoisotopic Molecular Weight: 246.0058257599
InChI Key: CBIDRCWHNCKSTO-UHFFFAOYSA-K
InChI: InChI=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)/p-3
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit.
Kingdom Organic compounds
Super ClassLipids and lipid-like molecules
Class Prenol lipids
Sub ClassIsoprenoid phosphates
Direct Parent Isoprenoid phosphates
Alternative Parents Not Available
Substituents
  • Organic pyrophosphate
  • Isoprenoid phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • organophosphate oxoanion (CHEBI:57623)
  • a small molecule (CPD-4211)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass243.0681ChemAxon
logP2.4935ChemAxon
H-bond acceptors7ChemAxon
H-bond donors0ChemAxon
Rotatable bonds5ChemAxon
PSA141.4000ChemAxon
RO5 violations0ChemAxon
RO3 violations3ChemAxon
Refractivity44.0605ChemAxon
Atoms23ChemAxon
Rings0ChemAxon
Heavy atoms14ChemAxon
Hydrogen atoms9ChemAxon
Heteroatoms9ChemAxon
N/O atoms7ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
PseudoCycCPD-4211