| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:45 UTC |
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| Update Date | 2025-03-21 18:04:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049938 |
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| Frequency | 88.7 |
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| Structure | |
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| Chemical Formula | C5H9NO3S |
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| Molecular Mass | 163.0303 |
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| SMILES | NC(CCC(=O)S)C(=O)O |
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| InChI Key | JKGHGIJRYMJVPN-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 acidsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthiocarboxylic acids and derivativesthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidfatty acidcarbodithioic acidorganosulfur compoundcarbothioic s-acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactonealkylthiolorganooxygen compound |
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