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CHEBI:28039 - 4-hydroxy-3-iodophenylpyruvic acid
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ChEBI Name
4-hydroxy-3-iodophenylpyruvic acid
ChEBI ID
CHEBI:28039
Definition
A phenylpyruvic acid derivative having an iodo substituent at the 3-position and a hydroxy substituent at positions 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1561, CHEBI:20088
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Formula
C9H7IO4
Net Charge
0
Average Mass
306.05400
Monoisotopic Mass
305.93890
InChI
InChI=1S/C9H7IO4/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14/h1-3,11H,4H2,(H,13,14)
InChIKey
CDAHFUWPMGXLON-UHFFFAOYSA-N
SMILES
OC(=O)C(=O)Cc1ccc(O)c(I)c1
ChEBI Ontology
Outgoing
4-hydroxy-3-iodophenylpyruvic acid (
CHEBI:28039
)
has functional parent
pyruvic acid (
CHEBI:32816
)
4-hydroxy-3-iodophenylpyruvic acid (
CHEBI:28039
)
is a
organoiodine compound (
CHEBI:37142
)
4-hydroxy-3-iodophenylpyruvic acid (
CHEBI:28039
)
is conjugate acid of
4-hydroxy-3-iodophenylpyruvate (
CHEBI:52989
)
Incoming
4-hydroxy-3-iodophenylpyruvate (
CHEBI:52989
)
is conjugate base of
4-hydroxy-3-iodophenylpyruvic acid (
CHEBI:28039
)
IUPAC Name
3-(4-hydroxy-3-iodophenyl)-2-oxopropanoic acid
Synonym
Source
3-Iodo-4-hydroxyphenylpyruvate
KEGG COMPOUND
Manual Xref
Database
C03987
KEGG COMPOUND
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Registry Number
Type
Source
2111675
Beilstein Registry Number
Beilstein
Last Modified
18 August 2009