| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:08 UTC |
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| Update Date | 2025-03-21 18:34:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100803 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C6H9NO3S |
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| Molecular Mass | 175.0303 |
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| SMILES | O=C(O)CCC1NCSC1=O |
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| InChI Key | SCRUSAMPZYUHKN-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 heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarbothioic s-lactonescarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiazolidinesthioestersthiohemiaminal derivativesthiolactones |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundthiolactoneorganoheterocyclic compoundcarbothioic s-lactonesecondary aliphatic aminethiocarboxylic acid or derivativesazacyclethiocarboxylic acid estersecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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