| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:56 UTC |
|---|
| Update Date | 2025-03-21 18:34:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100356 |
|---|
| Frequency | 27.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO6 |
|---|
| Molecular Mass | 217.0586 |
|---|
| SMILES | CC(=O)NC1=C(O)C(C(O)CO)OC1=O |
|---|
| InChI Key | QKWXZXAZXPELFP-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsacetamidesalpha amino acidsbutenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
|---|
| Substituents | carbonyl groupmonosaccharidelactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundacetamide1,2-dioldihydrofuranenoate esteralcoholn-acyl-alpha-amino acidcarboxamide groupoxacyclesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
