| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:18 UTC |
|---|
| Update Date | 2025-03-21 18:00:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00027372 |
|---|
| Frequency | 138.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15NO8 |
|---|
| Molecular Mass | 265.0798 |
|---|
| SMILES | O=C(O)CC(NC1OC(CO)C(O)C1O)C(=O)O |
|---|
| InChI Key | KYGVTJVVBFPNNY-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshemiaminalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivativestetrahydrofurans |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidmonosaccharidefatty acidhemiaminalsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary amineoxacycleorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
