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ChEBI
> Main
CHEBI:15984 -
N
-(4-nitrophenyl)-3-oxovalidamine
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ChEBI Name
N
-(4-nitrophenyl)-3-oxovalidamine
ChEBI ID
CHEBI:15984
ChEBI ASCII Name
N-(4-nitrophenyl)-3-oxovalidamine
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:12036, CHEBI:20459, CHEBI:1916
Supplier Information
Download
Molfile
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Molfile
Formulae
C13H16N2O6
C13H16N2O6
Net Charge
0
Average Mass
296.27590
Monoisotopic Mass
296.10084
InChI
InChI=1S/C13H16N2O6/c16-
6-
7-
5-
10(12(18)
13(19)
11(7)
17)
14-
8-
1-
3-
9(4-
2-
8)
15(20)
21/h1-
4,7,10-
12,14,16-
18H,5-
6H2/t7-
,10+,11-
,12+/m1/s1
InChIKey
JYWZXKMMEIJNKK-IGCXTIMSSA-N
SMILES
OC[C@H]1C[C@H](Nc2ccc(cc2)[N+]([O-])=O)[C@H](O)C(=O)[C@@H]1O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-(4-nitrophenyl)-3-oxovalidamine (
CHEBI:15984
)
is a
C
-nitro compound (
CHEBI:35716
)
N
-(4-nitrophenyl)-3-oxovalidamine (
CHEBI:15984
)
is a
cyclic ketone (
CHEBI:3992
)
N
-(4-nitrophenyl)-3-oxovalidamine (
CHEBI:15984
)
is a
secondary α-hydroxy ketone (
CHEBI:2468
)
N
-(4-nitrophenyl)-3-oxovalidamine (
CHEBI:15984
)
is a
secondary amino compound (
CHEBI:50995
)
N
-(4-nitrophenyl)-3-oxovalidamine (
CHEBI:15984
)
is a
substituted aniline (
CHEBI:48975
)
N
-(4-nitrophenyl)-3-oxovalidamine (
CHEBI:15984
)
is a
triol (
CHEBI:27136
)
IUPAC Name
(2
R
,3
R
,5
S
,6
S
)-
2,6-
dihydroxy-
3-
(hydroxymethyl)-
5-
[(4-
nitrophenyl)amino]cyclohexanone
Synonyms
Sources
4-Nitrophenyl-3-ketovalidamine
KEGG COMPOUND
4-nitrophenyl-3-ketovalidamine
UniProt
N-(4-Nitrophenyl)-3-ketovalidamine
KEGG COMPOUND
p-Nitrophenyl-3-ketovalidamine
KEGG COMPOUND
Manual Xref
Database
C03995
KEGG COMPOUND
View more database links
Last Modified
06 February 2018