| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:18:37 UTC |
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| Update Date | 2025-03-24 21:07:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01678726 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C4H7N3O3 |
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| Molecular Mass | 145.0487 |
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| SMILES | CNC(=C[N+](=O)[O-])C(N)=O |
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| InChI Key | QQARAEYQIKGYKG-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupallyl-type 1,3-dipolar organic compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumsecondary aliphatic amineorganic 1,3-dipolar compoundsecondary aminecarboxamide grouporganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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