| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:25 UTC |
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| Update Date | 2025-03-21 18:36:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108927 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C6H13NO5S |
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| Molecular Mass | 211.0514 |
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| SMILES | CCC(C)C(NS(=O)(=O)O)C(=O)O |
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| InChI Key | PXYIDIDUDNCDOT-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 acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoamides |
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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 compoundorganonitrogen compoundalpha-amino acidsulfuric acid monoamideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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