| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:24 UTC |
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| Update Date | 2025-03-21 18:39:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128008 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C6H11NO4S |
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| Molecular Mass | 193.0409 |
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| SMILES | NC(CCC(S)C(=O)O)C(=O)O |
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| InChI Key | UECXCPRVXYNMTO-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidethia fatty acidorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativemedium-chain fatty acidprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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