| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:33 UTC |
|---|
| Update Date | 2025-03-21 18:28:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00070663 |
|---|
| Frequency | 42.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H10O4 |
|---|
| Molecular Mass | 146.0579 |
|---|
| SMILES | CC(=O)CC(C)(O)C(=O)O |
|---|
| InChI Key | WCUFLIBXUCELCS-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 | alpha hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesshort-chain keto acids and derivativestertiary alcohols |
|---|
| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha-hydroxy acidshort-chain keto acidhydroxy acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
|---|
