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> Main
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.
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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