| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:26 UTC |
|---|
| Update Date | 2025-03-25 00:47:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02161130 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H12N2O4 |
|---|
| Molecular Mass | 176.0797 |
|---|
| SMILES | NC1COC(N)(C(=O)O)CC1O |
|---|
| InChI Key | QKOCQYMKLIJTFX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativespyran carboxylic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyranaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundoxaneorganoheterocyclic compoundorganooxygen compound |
|---|
