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

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ChEBI Name 4-nitrophenyl β-D-glucuronide
ChEBI ID CHEBI:90146
ChEBI ASCII Name 4-nitrophenyl beta-D-glucuronide
Definition A β-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H13NO9
Net Charge 0
Average Mass 315.233
Monoisotopic Mass 315.05903
InChI InChI=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
InChIKey QSUILVWOWLUOEU-GOVZDWNOSA-N
SMILES [C@H]1(C(O)=O)O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC=2C=CC(=CC2)[N+]([O-])=O
Roles Classification
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucosiduronic acid (CHEBI:15341)
4-nitrophenyl β-D-glucuronide (CHEBI:90146) is a C-nitro compound (CHEBI:35716)
IUPAC Name
4-nitrophenyl β-D-glucopyranosiduronic acid
Synonyms Sources
4-Nitrophenyl beta-D-glucopyranosiduronic acid ChemIDplus
4-Nitrophenylglucuronide ChemIDplus
p-Nitrophenyl beta-D-glucopyranosiduronic acid ChemIDplus
p-nitrophenyl β-D-glucuronide ChEBI
Registry Numbers Types Sources
10344-94-2 CAS Registry Number ChemIDplus
1438580 Reaxys Registry Number Reaxys
Last Modified
29 October 2015