| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:10 UTC |
|---|
| Update Date | 2025-03-21 18:32:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093628 |
|---|
| Frequency | 29.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H22N2O11 |
|---|
| Molecular Mass | 382.1224 |
|---|
| SMILES | NC(CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO)C(=O)O |
|---|
| InChI Key | BFTXRRNOSXYOCL-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 | asparagine and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidfatty amidefatty acidpyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidasparagine or derivativesoxaneprimary alcoholorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
