| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:27 UTC |
|---|
| Update Date | 2025-03-21 18:00:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00025360 |
|---|
| Frequency | 157.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H13N3O5 |
|---|
| Molecular Mass | 267.0855 |
|---|
| SMILES | N=C(Nc1ccc(O)cc1)NC(CC(=O)O)C(=O)O |
|---|
| InChI Key | QKYUVESDCOREMG-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 | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimine1-hydroxy-2-unsubstituted benzenoidcarboximidamidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
