| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:32:11 UTC |
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| Update Date | 2025-03-24 17:51:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00991702 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C5H7NO3 |
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| Molecular Mass | 129.0426 |
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| SMILES | CC(O)C(O)C(=O)C#N |
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| InChI Key | KEPVRTOWENYFEO-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsacyl cyanidesacyloinsalpha-hydroxy ketonesbeta-hydroxy ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupnitrilemonosaccharidealpha-hydroxy ketoneketoneorganic oxideacyl cyanideacyloinorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile1,2-diol |
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