| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:57:33 UTC |
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| Update Date | 2025-03-21 23:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00621597 |
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| Frequency | 2.6 |
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| Structure | |
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| Chemical Formula | C4H6N2O |
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| Molecular Mass | 98.048 |
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| SMILES | CN(C=O)CC#N |
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| InChI Key | PJTLDPJEKNQIMJ-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 | tertiary 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 compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrileorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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