| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:09 UTC |
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| Update Date | 2025-03-25 00:55:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO7S2 |
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| Molecular Mass | 299.0133 |
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| SMILES | CC(=O)NC(CSCCC(=O)S(=O)(=O)O)C(=O)O |
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| InChI Key | PIHVBUNUSHYMGH-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesacylsulfonic acidsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonic acids and derivativesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfonylsthiolactones |
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| Substituents | acylsulfonic acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioetheracylsulfonic acid or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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