| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:14 UTC |
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| Update Date | 2025-03-21 18:41:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136870 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C12H20N2O5S2 |
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| Molecular Mass | 336.0814 |
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| SMILES | CC(=O)NC(CSC(=S)NC(CC(C)C)C(=O)O)C(=O)O |
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| InChI Key | IVQBFTQDIYLQJS-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 acidscysteine and derivativesdicarboxylic acids and derivativesdithiocarbamic acid estershydrocarbon derivativesmethyl-branched fatty acidsn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativesmethyl-branched fatty acidsulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidsecondary carboxylic acid amidedithiocarbamic acid esterorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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