| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:23 UTC |
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| Update Date | 2025-03-21 18:04:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051356 |
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| Frequency | 63.6 |
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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(NC(C)=O)C(N)=O |
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| InChI Key | WFBXRBMLCXMBBM-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 acidscarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupn-acyl-alpha-amino acidfatty amidecarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundisoleucine or derivativesacetamideorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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