| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:18 UTC |
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| Update Date | 2025-03-21 18:39:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127765 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C10H16N4O |
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| Molecular Mass | 208.1324 |
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| SMILES | O=C(NCCc1cnc[nH]1)C1CCCN1 |
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| InChI Key | NTSCIJOQEQIATB-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 derivativesimidazolesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazoleproline or derivativessecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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