| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:39 UTC |
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| Update Date | 2025-03-21 18:05:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054247 |
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| Frequency | 59.4 |
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| Structure | |
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| Chemical Formula | C5H9NO2S |
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| Molecular Mass | 147.0354 |
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| SMILES | COC(=O)C1CSCN1 |
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| InChI Key | NHBNAVLHRAPNKY-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 acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundsdialkylaminesdialkylthioethershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl grouporganic oxidemethyl esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid esterazacycledialkylthioethersecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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