| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:33:43 UTC |
|---|
| Update Date | 2025-03-21 17:56:15 UTC |
|---|
| HMDB ID | HMDB0240341 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00000783 |
|---|
| Name | N-Acetyl-3-methylhistidine |
|---|
| Frequency | 7233.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13N3O3 |
|---|
| Molecular Mass | 211.0957 |
|---|
| SMILES | CC(=O)NC(Cc1cncn1C)C(=O)O |
|---|
| InChI Key | FKTXRTPBUWLETL-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolen-substituted imidazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
