| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:45:00 UTC |
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| Update Date | 2025-03-21 22:55:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00592394 |
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| Frequency | 2.7 |
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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 | N#CC(=O)CCCN |
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| InChI Key | PVXZQNPIIPQCNQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cyanideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundnitrileketoneorganic oxideacyl cyanideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrile |
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