RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0138838
RefMet nameDimethylallyl-diphosphate
Systematic name3-methylbut-2-enyl pyrophosphate (dimethylallyl-diphosphate)
SynonymsPubChem Synonyms
Exact mass246.005831 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H12O7P2View other entries in RefMet with this formula
Molecular descriptors
Molfile27998 (Download molfile/View MW Metabolite Database details)
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)
InChIKeyCBIDRCWHNCKSTO-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(=CCOP(=O)(O)OP(=O)(O)O)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC5 isoprenoids
Distribution of Dimethylallyl-diphosphate in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Dimethylallyl-diphosphate
External Links
Pubchem CID647
LIPID MAPSLMPR01010001
ChEBI ID16057
KEGG IDC00235
HMDB IDHMDB0001120
Chemspider ID627
MetaCyc IDCPD-4211
Spectral data for Dimethylallyl-diphosphate standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Dimethylallyl-diphosphate

Rxn IDKEGG ReactionEnzyme
R01122 Dimethylallyl diphosphate + tRNA <=> Diphosphate + tRNA containing 6-isopentenyladenosinedelta2-isopentenyl-diphosphate:tRNA isopentenyltransferase
R01123 Isopentenyl diphosphate <=> Dimethylallyl diphosphateIsopentenyl-diphosphate delta3-delta2-isomerase

Table of KEGG human pathways containing Dimethylallyl-diphosphate

Pathway IDHuman Pathway# of reactions
hsa00900 Terpenoid backbone biosynthesis 2
hsa01100 Metabolic pathways 1
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