| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:26:36 UTC |
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| Update Date | 2025-03-24 22:13:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01121947 |
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| Frequency | 1.2 |
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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 | O=C(O)C1=[N+]([O-])CCC1 |
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| InChI Key | LEILIZGOPIKFPX-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 compoundspyrrolines |
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| Substituents | carbonyl groupcarboxylic acidazacyclealpha-imino acidallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativespyrrolineorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundorganic hyponitritenitrone |
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