| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:54 UTC |
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| Update Date | 2025-03-21 18:01:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031109 |
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| Frequency | 118.8 |
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| Structure | |
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| Chemical Formula | C8H16N2O2 |
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| Molecular Mass | 172.1212 |
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| SMILES | CCC(C)C(N)C(=O)NC(C)=O |
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| InChI Key | YHVHTXBSZPMGIZ-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalpha-amino acid amiden-acyl-aminecarboxylic acid imidecarboxylic acid imide, n-unsubstitutedorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminedicarboximideorganic nitrogen compoundisoleucine or derivativesacetamideorganooxygen compound |
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