| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:33:28 UTC |
|---|
| Update Date | 2025-03-21 17:56:07 UTC |
|---|
| HMDB ID | HMDB0000060 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00000192 |
|---|
| Name | Acetoacetic acid |
|---|
| Frequency | 18255.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H6O3 |
|---|
| Molecular Mass | 102.0317 |
|---|
| SMILES | CC(=O)CC(=O)O |
|---|
| InChI Key | WDJHALXBUFZDSR-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 | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidcarboxylic acid derivativebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
|---|
