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> Main
CHEBI:27981 - 3,5-dinitro-4-hydroxyphenylpyruvic acid
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ChEBI Ontology
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ChEBI Name
3,5-dinitro-4-hydroxyphenylpyruvic acid
ChEBI ID
CHEBI:27981
Definition
A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,5-dinitro-4-hydroxyphenyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1407, CHEBI:19910
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Formula
C9H6N2O8
Net Charge
0
Average Mass
270.15250
Monoisotopic Mass
270.01242
InChI
InChI=1S/C9H6N2O8/c12-7(9(14)15)3-4-1-5(10(16)17)8(13)6(2-4)11(18)19/h1-2,13H,3H2,(H,14,15)
InChIKey
AIXYOVZVCBPJAR-UHFFFAOYSA-N
SMILES
OC(=O)C(=O)Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,5-dinitro-4-hydroxyphenylpyruvic acid (
CHEBI:27981
)
has functional parent
2,6-dinitrophenol (
CHEBI:39357
)
3,5-dinitro-4-hydroxyphenylpyruvic acid (
CHEBI:27981
)
has functional parent
pyruvic acid (
CHEBI:32816
)
3,5-dinitro-4-hydroxyphenylpyruvic acid (
CHEBI:27981
)
is a
2-oxo monocarboxylic acid (
CHEBI:35910
)
3,5-dinitro-4-hydroxyphenylpyruvic acid (
CHEBI:27981
)
is a
C
-nitro compound (
CHEBI:35716
)
3,5-dinitro-4-hydroxyphenylpyruvic acid (
CHEBI:27981
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
3-(4-hydroxy-3,5-dinitrophenyl)-2-oxopropanoic acid
Synonym
Source
3-(4-hydroxy-3,5-dinitrophenyl)-2-oxopropionic acid
ChEBI
Manual Xref
Database
C04286
KEGG COMPOUND
View more database links
Last Modified
18 February 2011