| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:43 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225989 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10ClN3O2 |
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| Molecular Mass | 227.0462 |
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| SMILES | CC(=O)NCC(=O)Nc1ccc(Cl)cn1 |
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| InChI Key | YJPDSGDBRVTLMI-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 | 2-halopyridinesacetamidesalpha amino acid amidesalpha amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmethylpyridinesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundpolyhalopyridineorganochloriden-arylamideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundacetamidearyl chloridealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundmethylpyridinecarboxamide grouparyl halidesecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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