| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 05:34:35 UTC |
|---|
| Update Date | 2025-03-24 14:29:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00853981 |
|---|
| Frequency | 1.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O4 |
|---|
| Molecular Mass | 144.0423 |
|---|
| SMILES | C=C(C(C)=O)C(O)C(=O)O |
|---|
| InChI Key | BOWVUEKPIBSKNA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | gamma-keto acids and derivatives |
|---|
| Direct Parent | gamma-keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha hydroxy acids and derivativesalpha-branched alpha,beta-unsaturated ketonesbeta-hydroxy ketonesbranched fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain keto acids and derivatives |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidshort-chain keto acidalpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxidehydroxy fatty acidenonealcoholalpha-branched alpha,beta-unsaturated-ketonehydroxy acidbranched fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeacryloyl-grouporganooxygen compound |
|---|
