| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:01:45 UTC |
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| Update Date | 2025-03-21 18:55:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00208207 |
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| Frequency | 10.6 |
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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 | CC(=O)NC(C)C#N |
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| InChI Key | BMCRVGWYOKWDBO-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 | acetamides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileacetamideorganooxygen compound |
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