| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:15 UTC |
|---|
| Update Date | 2025-03-21 18:33:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093817 |
|---|
| Frequency | 29.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H13NO4 |
|---|
| Molecular Mass | 163.0845 |
|---|
| SMILES | C[N+](C)([O-])CC(O)CC(=O)O |
|---|
| InChI Key | YARHEBITXARRAI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativestrialkyl amine oxidestrisubstituted amine oxides and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidtrialkyl amine oxidefatty acidcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholn-oxidemonocarboxylic acid or derivativesorganic oxygen compoundtrisubstituted n-oxideaminoxidesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
