| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:20 UTC |
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| Update Date | 2025-03-25 00:57:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222946 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO6S2 |
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| Molecular Mass | 242.9871 |
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| SMILES | NC(CCSS(=O)(=O)C(=O)O)C(=O)O |
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| InChI Key | CVAAYUBQNKYLGK-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 | acylsulfonic acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfonylsthia fatty acidsthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonecarbonic acid derivativesulfenyl compoundacylsulfonic acid or derivativesmonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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