| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:33 UTC |
|---|
| Update Date | 2025-03-21 17:59:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018766 |
|---|
| Frequency | 219.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H13NO4 |
|---|
| Molecular Mass | 163.0845 |
|---|
| SMILES | NCC(O)CC(O)CC(=O)O |
|---|
| InChI Key | HREZNCLHFYGGIK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | medium-chain hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | amino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidcarboxylic acid derivativeamino fatty acidmedium-chain hydroxy acidbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
