| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:25 UTC |
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| Update Date | 2025-03-21 17:57:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009475 |
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| Frequency | 894.1 |
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| Structure | |
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| Chemical Formula | C6H11NO3S |
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| Molecular Mass | 177.046 |
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| SMILES | CCC(O)=NC(CS)C(=O)O |
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| InChI Key | KBBJNRLWAGIQLW-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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