CHEBI:16426 - 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate

ChEBI IDCHEBI:16426
ChEBI Name3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate
Stars
Secondary ChEBI IDsCHEBI:1437, CHEBI:11736, CHEBI:19941
Last Modified16 April 2018
DownloadsMolfile
FormulaC6H9N2O5P
Net Charge0
Average Mass220.121
Monoisotopic Mass220.02491
SMILESO=C(COP(=O)(O)O)Cc1cncn1
InChIInChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)
InChIKeyYCFFMSOLUMRAMD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate (CHEBI:16426) has role Escherichia coli metabolite (CHEBI:76971)
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate (CHEBI:16426) is a imidazoles (CHEBI:24780)
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate (CHEBI:16426) is a oxoalkyl phosphate (CHEBI:36948)
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate (CHEBI:16426) is conjugate acid of 3-(imidazol-4-yl)-2-oxopropyl phosphate(2−) (CHEBI:57766)
Incoming Relation(s)
3-(imidazol-4-yl)-2-oxopropyl phosphate(2−) (CHEBI:57766) is conjugate base of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate (CHEBI:16426)
IUPAC Name 
3-(1H-imidazol-4-yl)-2-oxopropyl dihydrogen phosphate
Synonyms  Source
3-(Imidazol-4-yl)-2-oxopropyl phosphateKEGG COMPOUND
Imidazole-acetol phosphateKEGG COMPOUND
Manual XrefsDatabases
C01267KEGG COMPOUND
C01267KEGG COMPOUND
C00007308KNApSAcK