| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:08 UTC |
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| Update Date | 2025-03-21 18:39:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127364 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C9H14N2O4S2 |
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| Molecular Mass | 278.0395 |
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| SMILES | C=CCNC(=S)SCC(NC(=O)CO)C(=O)O |
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| InChI Key | IUFGVBIBDDEGOL-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 | alcohols and polyolsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundn-acyl-alpha-amino acidorganosulfur compoundcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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