| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:29 UTC |
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| Update Date | 2025-03-25 00:51:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186443 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7NO5S |
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| Molecular Mass | 193.0045 |
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| SMILES | NC(SC(=O)CC(=O)O)C(=O)O |
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| InChI Key | LJFCQDLDRRCGDW-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 | carbonyl compoundscarbothioic s-esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiohemiaminal derivativesthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarbothioic s-esterorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidhemithioaminaldicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactoneorganooxygen compound |
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