| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:56:42 UTC |
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| Update Date | 2025-03-21 23:01:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00619664 |
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| Frequency | 2.6 |
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| Structure | |
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| Chemical Formula | C5H5NO2S |
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| Molecular Mass | 143.0041 |
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| SMILES | O=C1OCCC1N=C=S |
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| InChI Key | MSBPBCHCQJBHNC-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 acidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundstetrahydrofurans |
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| Substituents | isothiocyanatecarbonyl grouporganosulfur compoundpropargyl-type 1,3-dipolar organic compoundlactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid estertetrahydrofuranorganic 1,3-dipolar compoundgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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