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CHEBI:88358 - 5-bromouridine 5'-triphosphate

Default Structure
ChEBI IDCHEBI:88358
ChEBI Name5-bromouridine 5'-triphosphate
Stars
DefinitionA pyrimidine ribonucleoside 5'-triphosphate having 5-bromouracil as the pyrimidine component.
Last Modified8 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC9H14BrN2O15P3
Net Charge0
Average Mass563.036
Monoisotopic Mass561.87904
SMILESO=c1nc(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Br
InChIInChI=1S/C9H14BrN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
InChIKeyIWFHOSULCAJGRM-UAKXSSHOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS225)
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
5-bromouridine 5'-triphosphate (CHEBI:88358) has functional parent UTP (CHEBI:15713)
5-bromouridine 5'-triphosphate (CHEBI:88358) is a organobromine compound (CHEBI:37141)
5-bromouridine 5'-triphosphate (CHEBI:88358) is a pyrimidine ribonucleoside 5'-triphosphate (CHEBI:37044)
IUPAC Name 
5-bromouridine 5'-(tetrahydrogen triphosphate)
Synonyms  Source
5-Bromouridine triphosphateChemIDplus
5-bromo-UTPChEBI
5-Br-UTPChEBI
Manual XrefsDatabases
BUPPDBeChem
Registry NumbersSources
Reaxys:873556Reaxys
CAS:3398-50-3ChemIDplus