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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