| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:23:41 UTC |
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| Update Date | 2025-03-24 20:03:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01114721 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C5H8N2O |
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| Molecular Mass | 112.0637 |
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| SMILES | O=C1NC2CNCC12 |
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| InChI Key | IATJDWOOBYMPCI-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepanesazacyclic compoundsazetidinesbeta lactamscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolidinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactam1,4-diazepanediazepanealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacyclesecondary aminecarboxamide groupbeta amino acid or derivativesazetidinesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundbeta-lactamorganooxygen compoundamine |
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