| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:54:16 UTC |
|---|
| Update Date | 2025-03-21 18:04:09 UTC |
|---|
| HMDB ID | HMDB0059637 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00048785 |
|---|
| Name | 3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate |
|---|
| Frequency | 67.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H6I2O4 |
|---|
| Molecular Mass | 431.8356 |
|---|
| SMILES | O=C(O)C(=O)Cc1cc(I)c(O)c(I)c1 |
|---|
| InChI Key | TZPLBTUUWSVGCY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpyruvic acid derivatives |
|---|
| Direct Parent | phenylpyruvic acid derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl iodidescarboxylic acidshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesphenylpropanoic acids |
|---|
| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodideketoneorganic oxidealpha-keto acidphenylpyruvate2-iodophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
|---|