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CHEBI:90146 - 4-nitrophenyl β-D-glucuronide

ChEBI IDCHEBI:90146
ChEBI Name4-nitrophenyl β-D-glucuronide
Stars
ASCII Name4-nitrophenyl beta-D-glucuronide
DefinitionA β-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position.
Last Modified29 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC12H13NO9
Net Charge0
Average Mass315.234
Monoisotopic Mass315.05903
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1
InChIKeyQSUILVWOWLUOEU-GOVZDWNOSA-N
Roles Classification
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
4-nitrophenyl β-D-glucuronide (CHEBI:90146) has functional parent 4-nitrophenol (CHEBI:16836)
4-nitrophenyl β-D-glucuronide (CHEBI:90146) has role chromogenic compound (CHEBI:75050)
4-nitrophenyl β-D-glucuronide (CHEBI:90146) is a C-nitro compound (CHEBI:35716)
4-nitrophenyl β-D-glucuronide (CHEBI:90146) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
4-nitrophenyl β-D-glucopyranosiduronic acid
Synonyms  Source
p-nitrophenyl β-D-glucuronideChEBI
4-NitrophenylglucuronideChemIDplus
4-Nitrophenyl beta-D-glucopyranosiduronic acidChemIDplus
p-Nitrophenyl beta-D-glucopyranosiduronic acidChemIDplus
Registry NumbersSources
Reaxys:1438580Reaxys
CAS:10344-94-2ChemIDplus