Not AvailableNot AvailableNot Available
Common Name4-amino-2-methyl-5-(diphosphooxymethyl)pyrimidine
Description2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate, also known as hmp-pp or 4-amino-5-hydroxymethyl-2-methylpyrimidine-pp, is a member of the class of compounds known as organic pyrophosphates. Organic pyrophosphates are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. 2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate can be found in a number of food items such as purple laver, japanese pumpkin, parsnip, and cloves, which makes 2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate a potential biomarker for the consumption of these food products. 2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate may be a unique E.coli metabolite.
Structure
Molecular FormulaC6H8N3O7P2
Average Mass296.09300
Monoisotopic Mass295.98539
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESCc1ncc(COP(=O)([O-])OP(=O)([O-])[O-])c(N)n1
InChI IdentifierInChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)/p-3
InChI KeyAGQJQCFEPUVXNK-UHFFFAOYSA-K
CHEBI IDCHEBI:57841
HMDB IDHMDB0304168
StateNot Available
Water SolubilityNot Available
logSNot Available
pKa (Strongest Acidic)Not Available
pKa (Strongest Basic)Not Available
Hydrogen Acceptor CountNot Available
Hydrogen Donor CountNot Available
Rotatable Bond CountNot Available
Physiological ChargeNot Available
Formal ChargeNot Available
PolarizabilityNot Available

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