| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:58:46 UTC |
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| Update Date | 2025-03-24 22:26:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01199643 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C5H7NO2S |
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| Molecular Mass | 145.0197 |
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| SMILES | NC1=C(C(=O)O)CCS1 |
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| InChI Key | HADIRKBPXOGNKB-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 | vinylogous thioesters |
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| Subclass | vinylogous thioesters |
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| Direct Parent | vinylogous thioesters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrothiopheneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous thioestervinylogous amidecarbonyl groupcarboxylic acid2,3-dihydrothiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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