| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:54 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189715 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O |
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| Molecular Mass | 233.1528 |
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| SMILES | CC(C)NC(=O)C1CCC(c2cccnc2)N1 |
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| InChI Key | HVUGNYRCQGSICY-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidespyrrolidinylpyridinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundpyrrolidinylpyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundmethylpyridinesecondary aminecarboxamide groupsecondary carboxylic acid amidepyridinepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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