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CHEBI:16584 - isopentenyl diphosphate

Default Structure
ChEBI IDCHEBI:16584
ChEBI Nameisopentenyl diphosphate
Stars
DefinitionA prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent.
Secondary ChEBI IDsCHEBI:6037, CHEBI:14473, CHEBI:24907
Last Modified21 April 2017
DownloadsMolfile
FormulaC5H12O7P2
Net Charge0
Average Mass246.092
Monoisotopic Mass246.00583
SMILESC=C(C)CCOP(=O)(O)OP(=O)(O)O
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)
InChIKeyNUHSROFQTUXZQQ-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
phosphoantigen  Any antigen that is a phosphorylated microbial metabolite which activates an immune response in humans.
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
isopentenyl diphosphate (CHEBI:16584) has role Escherichia coli metabolite (CHEBI:76971)
isopentenyl diphosphate (CHEBI:16584) has role antigen (CHEBI:59132)
isopentenyl diphosphate (CHEBI:16584) has role antioxidant (CHEBI:22586)
isopentenyl diphosphate (CHEBI:16584) has role epitope (CHEBI:53000)
isopentenyl diphosphate (CHEBI:16584) has role mouse metabolite (CHEBI:75771)
isopentenyl diphosphate (CHEBI:16584) has role phosphoantigen (CHEBI:59544)
isopentenyl diphosphate (CHEBI:16584) is a prenol phosphate (CHEBI:26250)
isopentenyl diphosphate (CHEBI:16584) is conjugate acid of isopentenyl diphosphate(3−) (CHEBI:128769)
Incoming Relation(s)
isopentenyl diphosphate(3−) (CHEBI:128769) is conjugate base of isopentenyl diphosphate (CHEBI:16584)
IUPAC Name 
3-methylbut-3-en-1-yl trihydrogen diphosphate
Synonyms  Source
3-Methyl-3-butenyl pyrophosphateChemIDplus
3-methylbut-3-en-1-yl trihydrogen diphosphatePDBeChem
3-methylbut-3-enyl phosphono hydrogen phosphatePDBeChem
delta3-isopentenyl diphosphateChEBI
delta3-Isopentenyl diphosphateKEGG COMPOUND
delta-3-Isopentenyl pyrophosphateChemIDplus
Manual XrefsDatabases
C00000848KNApSAcK
C00129KEGG COMPOUND
C00129KEGG COMPOUND
DB04714DrugBank
IPEPDBeChem
Isopentenyl pyrophosphateWikipedia
LMPR01010008LIPID MAPS
Registry NumbersSources
Reaxys:1713792Reaxys
CAS:358-71-4KEGG COMPOUND
CAS:358-71-4ChemIDplus
Citations