| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:12 UTC |
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| Update Date | 2025-03-21 18:35:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105910 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O4S2 |
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| Molecular Mass | 322.1021 |
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| SMILES | CCN(CC)CCOC(=S)SCC(NC(C)=O)C(=O)O |
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| InChI Key | YUTUOCHLYFBVHJ-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 derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonothioacetalsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundmonothioacetalorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineacetamidesulfenyl compoundn-acyl-alpha-amino acidtertiary aliphatic aminecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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