| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:25:00 UTC |
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| Update Date | 2025-03-21 22:18:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00544634 |
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| Frequency | 3.1 |
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| Structure | |
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| Chemical Formula | C4H8N2O3 |
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| Molecular Mass | 132.0535 |
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| SMILES | CC(CC(N)=O)[N+](=O)[O-] |
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| InChI Key | QLCGRPNGURILDJ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupallyl-type 1,3-dipolar organic compoundfatty amideorganic 1,3-dipolar compoundcarboxamide groupbeta amino acid or derivativesorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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