| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:36 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253037 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11N5O |
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| Molecular Mass | 181.0964 |
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| SMILES | O=C(Nc1nc[nH]n1)C1CCCN1 |
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| InChI Key | YLQZPDNZKZLFGW-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 derivativesn-arylamidesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidessecondary carboxylic acid amidestriazoles |
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| Substituents | triazolecarbonyl grouparomatic heteromonocyclic compoundn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazoleproline or derivativessecondary aliphatic aminealpha-amino acid amide1,2,4-triazoleazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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