| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:49 UTC |
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| Update Date | 2025-03-21 18:03:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042902 |
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| Frequency | 79.4 |
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| Structure | |
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| Chemical Formula | C5H11NO5S2 |
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| Molecular Mass | 229.0079 |
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| SMILES | NC(CCCSS(=O)(=O)O)C(=O)O |
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| InChI Key | MLJWFAXELXDFGV-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundss-alkyl thiosulfatessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundfatty acidorganosulfur compounds-alkyl thiosulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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