| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:21:27 UTC |
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| Update Date | 2025-03-24 21:35:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01828504 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C4H8NO4+ |
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| Molecular Mass | 134.0448 |
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| SMILES | COC(=O)C(C)[N+](=O)O |
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| InChI Key | SXEBKUZVJDDUCZ-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsc-nitro compoundscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemethyl esterc-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumalpha-amino acid esterorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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