| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:36:26 UTC |
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| Update Date | 2025-03-24 17:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01001620 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C4H7NO3 |
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| Molecular Mass | 117.0426 |
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| SMILES | CC(C(=O)O)=[N+](C)[O-] |
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| InChI Key | JUXKFNHNUADUBJ-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 | alpha-imino acid and derivatives |
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| Direct Parent | alpha-imino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitronesorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-imino acidallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitritenitrone |
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