| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:10 UTC |
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| Update Date | 2025-03-21 18:28:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074567 |
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| Frequency | 39.8 |
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| Structure | |
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| Chemical Formula | C9H15NO6S2 |
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| Molecular Mass | 297.0341 |
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| SMILES | NC(CCSSCCC(C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | MIVQIWROIXWDNY-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 | 1,3-dicarbonyl compoundscarboxylic acidsdialkyldisulfidesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundtricarboxylic acid or derivativesorganosulfur compounddialkyldisulfideorganic oxidethia fatty acidorganic oxygen compoundorganic disulfideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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