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Dimethylallylpyrophosphate (PC000902)

Record Information
Version1.0
Creation date2015-10-09 22:33:18 UTC
Update date2017-01-19 02:36:40 UTC
FoodComEx IDPC000902
FoodDB RecordFDB022434
Chemical Information
NameDimethylallylpyrophosphate
DescriptionDimethylallylpyrophosphate, also known as 2-isopentenyl diphosphate or delta-prenyl diphosphoric acid, 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. Dimethylallylpyrophosphate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
CAS Number358-72-5
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
1,1-Dimethyl-4-phenylpiperazinium iodidehmdb
2-Isopentenyl diateChEBI
2-Isopentenyl diic acidGenerator
2-Isopentenyl diphosphatehmdb
3-Methyl-2-buten-1-ol pyroateHMDB
3-methyl-2-Buten-1-ol pyrophosphatehmdb
3-Methyl-2-buten-1-ol trihydrogen pyroateHMDB
3-methyl-2-Buten-1-ol trihydrogen pyrophosphatehmdb
3-Methyl-2-butenyl pyroateHMDB
3-Methyl-2-butenyl pyrophosphatehmdb
3-Methylbut-2-enyl ONO hydrogen ateChEBI
3-Methylbut-2-enyl ONO hydrogen ic acidGenerator
3-Methylbut-2-enyl pyroateHMDB
3-methylbut-2-enyl pyrophosphatehmdb
3,3-Dimethylallyl pyroateChEBI
3,3-Dimethylallyl pyroic acidGenerator
3,3-Dimethylallyl pyrophosphatehmdb
delta-Prenyl diateChEBI
delta-Prenyl diic acidGenerator
delta-Prenyl diphosphatehmdb
delta2-Isopentenyl diateChEBI
delta2-Isopentenyl diic acidGenerator
delta2-Isopentenyl diphosphatehmdb
Delta2-Isopentenyl-diateHMDB
delta2-isopentenyl-diphosphatehmdb
Dimethylallyl diateChEBI
Dimethylallyl diic acidGenerator
Dimethylallyl diphosphatehmdb
Dimethylallyl pyroateChEBI
Dimethylallyl pyroic acidGenerator
dimethylallyl pyrophosphatehmdb
Dimethylallyl-diateHMDB
dimethylallyl-diphosphatehmdb
dimethylallyl-PPhmdb
dimethylallyl-PPihmdb
Dimethylallyl-pyroateHMDB
dimethylallyl-pyrophosphatehmdb
DimethylallylpyroateHMDB
Dimethylallylpyrophosphatehmdb
Dimethylallylpyrophosphic acidhmdb
Dioric acid mono(3-methyl-2-butenyl) esterHMDB
Diphosphoric acid mono(3-methyl-2-butenyl) esterhmdb
DMAPPhmdb
DMPPhmdb
IPEhmdb
Monoprenyl diateChEBI
Monoprenyl diic acidGenerator
Prenol pyroateChEBI
Prenol pyroic acidGenerator
Prenyl diateChEBI
Prenyl diic acidGenerator
Prenyl diphosphatehmdb
Prenyl-diateHMDB
prenyl-diphosphatehmdb
δ-prenyl diateGenerator
δ-prenyl diic acidGenerator
δ2-isopentenyl diateGenerator
δ2-isopentenyl diic acidGenerator
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=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)
InChI KeyCBIDRCWHNCKSTO-UHFFFAOYSA-N
Isomeric SMILESCC(C)=CCO[P@](O)(=O)OP(O)(O)=O
Average Molecular Weight246.0921
Monoisotopic Molecular Weight246.005825762
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassIsoprenoid phosphates
Direct ParentIsoprenoid phosphates
Alternative Parents
Substituents
  • Organic pyrophosphate
  • Isoprenoid phosphate
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available