| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:18:13 UTC |
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| Update Date | 2025-03-24 14:16:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00814151 |
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| Frequency | 1.8 |
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| Structure | |
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| Chemical Formula | C5H8N2O2 |
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| Molecular Mass | 128.0586 |
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| SMILES | CC(O)C(=O)NCC#N |
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| InChI Key | IISRNCLWBCFGAC-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 | carboxylic acid derivatives |
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| Direct Parent | secondary carboxylic acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupnitrilesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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