| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:57 UTC |
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| Update Date | 2025-03-25 00:54:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H12N2O3 |
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| Molecular Mass | 160.0848 |
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| SMILES | CC(C)CC(N)C(=O)[N+](=O)[O-] |
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| InChI Key | BNUGKTZMLZQVEL-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsc-nitro compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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