| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:20 UTC |
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| Update Date | 2025-03-21 18:37:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115996 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C11H22N2O2S |
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| Molecular Mass | 246.1402 |
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| SMILES | CSCCC(NC(=O)C(N)C(C)C)C(C)=O |
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| InChI Key | DSHWSDMBUBENRM-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 acid amidesalpha amino acidscarboxylic acids and derivativesdialkylthioethershydrocarbon derivativesketonesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidedialkylthioethervaline or derivativescarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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