| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:50 UTC |
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| Update Date | 2025-03-21 17:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021653 |
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| Frequency | 184.4 |
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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 | NC(=O)C1CCC=N1 |
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| InChI Key | QVTOBEMFTIZTAF-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundspyrroline carboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidecarbonyl groupazacycleiminepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundcarboxamide grouppropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolineorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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