| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:20 UTC |
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| Update Date | 2025-03-21 18:36:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108713 |
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| Frequency | 31.1 |
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| Structure | |
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| Chemical Formula | C11H23N3O2 |
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| Molecular Mass | 229.179 |
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| SMILES | CC(C)CC(N)C(N)=NC(C(=O)O)C(C)C |
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| InChI Key | UPDNRBFRHCIGPO-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 acidsamidinescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidamidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidvaline or derivativesorganic 1,3-dipolar compoundcarboximidamidebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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