| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:17 UTC |
|---|
| Update Date | 2025-03-21 18:34:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00098750 |
|---|
| Frequency | 27.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H9NO4 |
|---|
| Molecular Mass | 147.0532 |
|---|
| SMILES | NCC(O)C(=O)CC(=O)O |
|---|
| InChI Key | RKXTVMFDNYICFU-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 ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
