| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:05 UTC |
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| Update Date | 2025-03-21 18:03:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043536 |
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| Frequency | 78.1 |
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| Structure | |
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| Chemical Formula | C9H15NO7S |
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| Molecular Mass | 281.0569 |
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| SMILES | NC(CSC1CC(O)OC1(O)CC(=O)O)C(=O)O |
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| InChI Key | BZHZAZKIJKIYEO-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshemiacetalshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalhydroxy fatty acidorganoheterocyclic compoundsulfenyl compoundtetrahydrofurandialkylthioetheroxacyclethia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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