| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:54 UTC |
|---|
| Update Date | 2025-03-21 17:57:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010608 |
|---|
| Frequency | 442.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O4 |
|---|
| Molecular Mass | 132.0423 |
|---|
| SMILES | CC(CO)C(=O)C(=O)O |
|---|
| InChI Key | VGRJIVGLOZEXGV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | keto acids and derivatives |
|---|
| Subclass | short-chain keto acids and derivatives |
|---|
| Direct Parent | short-chain keto acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesprimary alcohols |
|---|
| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativehydroxy fatty acidprimary alcoholorganooxygen compound |
|---|
