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CHEBI:16629 - 4-amino-2-methyl-5-diphosphooxymethylpyrimidine

ChEBI IDCHEBI:16629
ChEBI Name4-amino-2-methyl-5-diphosphooxymethylpyrimidine
Stars
DefinitionAn aminopyrimidine that is pyrimidin-4-amine substituted by a methyl group at position 2 and a diphosphooxymethyl group at position 5.
Secondary ChEBI IDsCHEBI:1194, CHEBI:11612, CHEBI:11953, CHEBI:19684, CHEBI:20308, CHEBI:29079
Last Modified9 December 2024
DownloadsMolfile
FormulaC6H11N3O7P2
Net Charge0
Average Mass299.116
Monoisotopic Mass299.00722
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)
InChIKeyAGQJQCFEPUVXNK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
4-amino-2-methyl-5-diphosphooxymethylpyrimidine (CHEBI:16629) has role Escherichia coli metabolite (CHEBI:76971)
4-amino-2-methyl-5-diphosphooxymethylpyrimidine (CHEBI:16629) is a alkyl diphosphate (CHEBI:46731)
4-amino-2-methyl-5-diphosphooxymethylpyrimidine (CHEBI:16629) is a aminopyrimidine (CHEBI:38338)
4-amino-2-methyl-5-diphosphooxymethylpyrimidine (CHEBI:16629) is conjugate acid of 4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3−) (CHEBI:57841)
Incoming Relation(s)
4-amino-2-methyl-5-diphosphonatooxymethylpyrimidine(3−) (CHEBI:57841) is conjugate base of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine (CHEBI:16629)
IUPAC Name 
(4-amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate
Synonyms  Source
2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphateKEGG COMPOUND
4-Amino-2-methyl-5-diphosphomethylpyrimidineKEGG COMPOUND
Manual XrefsDatabases
C04752KEGG COMPOUND
C04752KEGG COMPOUND
C00007609KNApSAcK
AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PPMetaCyc
Registry NumbersSources
Reaxys:763592Reaxys