| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:17 UTC |
|---|
| Update Date | 2025-03-21 17:57:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009130 |
|---|
| Frequency | 531.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O4 |
|---|
| Molecular Mass | 132.0423 |
|---|
| SMILES | CCC(O)C(=O)C(=O)O |
|---|
| InChI Key | XDAOHSVZXQBFMP-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 | acyloinsalpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidealpha-keto acidhydroxy fatty acidalcoholmethyl-branched fatty acidhydroxy acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
