| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:01 UTC |
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| Update Date | 2025-03-25 00:54:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205847 |
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| Frequency | 0.5 |
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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 | NC(C=CC(O)CS)C(=O)O |
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| InChI Key | CSGSJDCYIMJZEU-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundmedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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