| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:43 UTC |
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| Update Date | 2025-03-25 00:49:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H16N2O3S |
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| Molecular Mass | 208.0882 |
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| SMILES | CCC(C)C(N)C(=O)NS(C)(=O)=O |
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| InChI Key | NZBJNMWHAHIHHV-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 | alpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivatives |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupaminosulfonyl compoundorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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