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CHEBI:57841 - 4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3−)

ChEBI IDCHEBI:57841
ChEBI Name4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3−)
Stars
ASCII Name4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3-)
DefinitionTrianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.
Last Modified5 June 2018
DownloadsMolfile
FormulaC6H8N3O7P2
Net Charge-3
Average Mass296.092
Monoisotopic Mass295.98539
SMILESCc1ncc(COP(=O)([O-])OP(=O)([O-])[O-])c(N)n1
InChIInChI=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
InChIKeyAGQJQCFEPUVXNK-UHFFFAOYSA-K
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3−) (CHEBI:57841) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3−) (CHEBI:57841) is a organophosphate oxoanion (CHEBI:58945)
4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3−) (CHEBI:57841) is conjugate base of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine (CHEBI:16629)
Incoming Relation(s)
4-amino-2-methyl-5-diphosphooxymethylpyrimidine (CHEBI:16629) is conjugate acid of 4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3−) (CHEBI:57841)
IUPAC Name 
(4-amino-2-methylpyrimidin-5-yl)methyl diphosphate
Synonym  Source
4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine trianionChEBI
UniProt Name  Source
4-amino-2-methyl-5-(diphosphooxymethyl)pyrimidineUniProt
Registry NumbersSources
Beilstein:7229943Beilstein