| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:20:22 UTC |
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| Update Date | 2025-03-24 21:08:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01683045 |
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| Frequency | 0.7 |
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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 | N#CCSCCC(=O)O |
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| InChI Key | MYSJSGFJSYMBKD-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 | carboxylic acids |
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| Direct Parent | carboxylic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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