| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:42 UTC |
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| Update Date | 2025-03-21 18:04:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052107 |
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| Frequency | 73.5 |
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| Structure | |
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| Chemical Formula | C4H7NO3S |
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| Molecular Mass | 149.0147 |
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| SMILES | NC(CC(=O)S)C(=O)O |
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| InChI Key | MXLKLZBVUARATL-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 | alkylthiolscarbodithioic acidscarbonyl compoundscarbothioic s-acidscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthia fatty acidsthiocarboxylic acids and derivativesthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonethiocarboxylic acid or derivativescarbodithioic acidcarbothioic s-acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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