| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:45 UTC |
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| Update Date | 2025-03-25 00:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16N2O5S |
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| Molecular Mass | 252.078 |
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| SMILES | CC(=O)NS(=O)(=O)NC(CC(C)C)C(=O)O |
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| InChI Key | UGUQWGHGKPKJPG-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesmethyl-branched fatty acidfatty acidbranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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