| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:56 UTC |
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| Update Date | 2025-03-21 18:31:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085985 |
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| Frequency | 33.2 |
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| Structure | |
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| Chemical Formula | C12H22N2O6S2 |
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| Molecular Mass | 354.0919 |
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| SMILES | CC(=O)NC(CSC(NCCCCS(C)=O)C(=O)O)C(=O)O |
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| InChI Key | OFWGQLXXCONBID-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 | acetamidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxidesthiohemiaminal derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundacetamidesecondary aliphatic aminesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativessulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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