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> Main
CHEBI:28128 - 3,5-dibromo-4-hydroxyphenylpyruvic acid
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ChEBI Ontology
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ChEBI Name
3,5-dibromo-4-hydroxyphenylpyruvic acid
ChEBI ID
CHEBI:28128
Definition
A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,5-dibromo-4-hydroxyphenyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:19899, CHEBI:1397
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Formula
C9H6Br2O4
Net Charge
0
Average Mass
337.94954
Monoisotopic Mass
335.86329
InChI
InChI=1S/C9H6Br2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)
InChIKey
NJXFZTOQSMPMRY-UHFFFAOYSA-N
SMILES
OC(=O)C(=O)Cc1cc(Br)c(O)c(Br)c1
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-dibromo-4-hydroxyphenylpyruvic acid (
CHEBI:28128
)
has functional parent
2,6-dibromophenol (
CHEBI:19391
)
3,5-dibromo-4-hydroxyphenylpyruvic acid (
CHEBI:28128
)
has functional parent
pyruvic acid (
CHEBI:32816
)
3,5-dibromo-4-hydroxyphenylpyruvic acid (
CHEBI:28128
)
is a
2-oxo monocarboxylic acid (
CHEBI:35910
)
3,5-dibromo-4-hydroxyphenylpyruvic acid (
CHEBI:28128
)
is a
organobromine compound (
CHEBI:37141
)
3,5-dibromo-4-hydroxyphenylpyruvic acid (
CHEBI:28128
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
3-(3,5-dibromo-4-hydroxyphenyl)-2-oxopropanoic acid
Synonym
Source
3,5-Dibromo-4-hydroxyphenylpyruvate
KEGG COMPOUND
Manual Xref
Database
C04285
KEGG COMPOUND
View more database links
Registry Number
Type
Source
2654920
Reaxys Registry Number
Reaxys
Last Modified
18 February 2011