Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:91122 - 4-nitrophenyl α-
D
-glucoside
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
4-nitrophenyl α-
D
-glucoside
ChEBI ID
CHEBI:91122
ChEBI ASCII Name
4-nitrophenyl alpha-D-glucoside
Definition
An α-
D
-glucoside that is β-
D
-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C12H15NO8
Net Charge
0
Average Mass
301.250
Monoisotopic Mass
301.07977
InChI
InChI=1S/C12H15NO8/c14-
5-
8-
9(15)
10(16)
11(17)
12(21-
8)
20-
7-
3-
1-
6(2-
4-
7)
13(18)
19/h1-
4,8-
12,14-
17H,5H2/t8-
,9-
,10+,11-
,12+/m1/s1
InChIKey
IFBHRQDFSNCLOZ-ZIQFBCGOSA-N
SMILES
O1[C@@H]([C@H]([C@@H]([C@H]([C@H]1OC=2C=CC(=CC2)[N+]([O-])=O)O)O)O)CO
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 α-
D
-glucoside (
CHEBI:91122
)
has functional parent
4-nitrophenol (
CHEBI:16836
)
4-nitrophenyl α-
D
-glucoside (
CHEBI:91122
)
has role
chromogenic compound (
CHEBI:75050
)
4-nitrophenyl α-
D
-glucoside (
CHEBI:91122
)
is a
α-
D
-glucoside (
CHEBI:22390
)
4-nitrophenyl α-
D
-glucoside (
CHEBI:91122
)
is a
C
-nitro compound (
CHEBI:35716
)
4-nitrophenyl α-
D
-glucoside (
CHEBI:91122
)
is a
monosaccharide derivative (
CHEBI:63367
)
IUPAC Name
4-nitrophenyl α-
D
-glucopyranoside
Synonyms
Sources
4-Nitrophenyl alpha-glucoside
ChemIDplus
p
-nitrophenyl α-
D
-glucoside
ChEBI
Registry Numbers
Types
Sources
3767-28-0
CAS Registry Number
ChemIDplus
92212
Reaxys Registry Number
Reaxys
Citation
Type
Source
16495668
PubMed citation
Europe PMC
Last Modified
23 January 2023