| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:01 UTC |
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| Update Date | 2025-03-21 17:58:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013215 |
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| Frequency | 339.8 |
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| Structure | |
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| Chemical Formula | C4H9NO4S |
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| Molecular Mass | 167.0252 |
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| SMILES | NC(CC[SH](=O)=O)C(=O)O |
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| InChI Key | UBDZGGPOCHXJKA-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 acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundss-alkylsulfenatesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compounds-alkylsulfenatecarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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