| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:35:43 UTC |
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| Update Date | 2025-03-21 17:57:04 UTC |
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| HMDB ID | HMDB0240340 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005490 |
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| Name | N-Acetyl-1-methylhistidine |
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| Frequency | 1009.1 |
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| Structure | |
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| Chemical Formula | C9H13N3O3 |
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| Molecular Mass | 211.0957 |
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| SMILES | CC(=O)NC(Cc1cn(C)cn1)C(=O)O |
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| InChI Key | GVRCKHXHWSYDEF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| 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 |
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