| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:32 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207014 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO4 |
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| Molecular Mass | 159.0532 |
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| SMILES | O=C(O)C1=[N+]([O-])CCC(O)C1 |
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| InChI Key | STSYKICRJWZIRX-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitronesorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydropyridines |
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| Substituents | carbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholazacyclealpha-imino acidtetrahydropyridineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitritenitrone |
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