| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:42:57 UTC |
|---|
| Update Date | 2025-03-21 17:59:34 UTC |
|---|
| HMDB ID | HMDB0130477 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021941 |
|---|
| Name | 2-{[hydroxy(2,4,5-trihydroxyphenyl)methylidene]amino}acetic acid |
|---|
| Frequency | 181.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO6 |
|---|
| Molecular Mass | 227.043 |
|---|
| SMILES | O=C(O)CNC(=O)c1cc(O)c(O)cc1O |
|---|
| InChI Key | LGBZWUCTEQHZOJ-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 | acyl glycines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylamidessecondary carboxylic acid amidesvinylogous acids |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbenzoic acid or derivativescarboxamide groupn-acylglycinesalicylamidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
