| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:32 UTC |
|---|
| Update Date | 2025-03-25 00:51:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02188857 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18N2O9 |
|---|
| Molecular Mass | 322.1012 |
|---|
| SMILES | CC(O)C(NC(=O)C1OC(O)(C(=O)O)CC(O)C1N)C(=O)O |
|---|
| InChI Key | OJAZXWRAIFJMIZ-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 | alpha amino acidsalpha hydroxy acids and derivativesbeta amino acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdelta amino acids and derivativesdicarboxylic acids and derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidfatty acidpyran carboxylic acidbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaldelta amino acid or derivativeshydroxy fatty acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidhydroxy acidcarboxamide groupbeta amino acid or derivativesoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
