| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:34:23 UTC |
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| Update Date | 2025-03-24 20:22:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01429738 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C4H7NO4 |
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| Molecular Mass | 133.0375 |
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| SMILES | CCC(=O)C(O)[N+](=O)[O-] |
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| InChI Key | FHPMYRIJCPCYNK-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 | alpha-hydroxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanolaminesc-nitro compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundalpha-hydroxy ketoneorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitritealkanolamine |
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