| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:32 UTC |
|---|
| Update Date | 2025-03-25 00:54:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02207032 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6ClNO4 |
|---|
| Molecular Mass | 190.9985 |
|---|
| SMILES | O=C(O)C1=NC(C(=O)O)CC1Cl |
|---|
| InChI Key | PNBUGALHCSBNKK-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 | alkyl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketiminesorganic oxidesorganochloridesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroline 2-carboxylic acids |
|---|
| Substituents | ketiminecarbonyl groupcarboxylic acidiminealkyl chlorideorganochlorideorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideorganoheterocyclic compoundazacyclepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundpyrroline 2-carboxylic acidpyrrolineorganic oxygen compoundpyrroline carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
