Molecular Identity
isopentenyl pyrophosphate
3-methylbut-3-enyl phosphono hydrogen phosphate
PubChem CID: 1195
Isopentenyl diphosphate is a prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent. It has a role as an antioxidant, an epitope, an antigen, a phosphoantigen, a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of an isopentenyl diphosphate(3-).
2D Structure
Properties
C5H12O7P2
Molecular Formula
246.09
Molecular Weight
g/mol
246.0058
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
292
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
isopentenyl pyrophosphateisopentenyl diphosphate358-71-43-Methyl-3-butenyl pyrophosphateIPPP3-methylbut-3-enyl phosphono hydrogen phosphateMono(3-methyl-3-butenyl) diphosphatedelta3-Isopentenyl diphosphateDiphosphoric acid mono(3-methyl-3-butenyl) esterdelta3-methyl-3-butenyl diphosphateLSC8849M7BCHEBI:16584DTXSID80861893({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}oxy)phosphonic acid((hydroxy((3-methylbut-3-en-1-yl)oxy)phosphoryl)oxy)phosphonic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to isopentenyl pyrophosphate
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