| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:51 UTC |
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| Update Date | 2025-03-21 18:38:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119652 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C11H24N2OS |
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| Molecular Mass | 232.1609 |
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| SMILES | CCC(C)C(CS)NC(=O)C(N)C(C)C |
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| InChI Key | JLLZRFWXEZWMMW-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 | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid amidevaline or derivativesfatty amideorganosulfur compoundcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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