| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:29 UTC |
|---|
| Update Date | 2025-03-21 18:39:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00125800 |
|---|
| Frequency | 20.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H16ClN3O5 |
|---|
| Molecular Mass | 281.0778 |
|---|
| SMILES | CN(CC(=O)O)C(=N)NC1OC(CCl)C(O)C1O |
|---|
| InChI Key | SYHMGEFHUOJZNK-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 | 1,2-diolsalkyl chloridescarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidguanidineiminealkyl chlorideorganochloridemonosaccharideorganohalogen compoundsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideorganoheterocyclic compound1,2-diolalcoholtetrahydrofurancarboximidamideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
