| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:41 UTC |
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| Update Date | 2025-03-21 18:06:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066150 |
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| Frequency | 57.6 |
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| Structure | |
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| Chemical Formula | C7H15N3O2 |
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| Molecular Mass | 173.1164 |
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| SMILES | CC(C)C(N)C(=O)N=C(O)CN |
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| InChI Key | YLAMJTMUMOOEST-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyliminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | n-acyliminealiphatic acyclic compoundcarbonyl groupvaline or derivativesorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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