| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:50:23 UTC |
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| Update Date | 2025-03-25 01:35:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02456347 |
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| Frequency | 0.5 |
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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(N)C(=O)C#N |
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| InChI Key | IXYPWPJHKXALGV-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 | beta-hydroxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl cyanideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundnitrileorganic oxideacyl cyanideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrile |
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