| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:42 UTC |
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| Update Date | 2025-03-25 00:54:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205163 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO3S |
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| Molecular Mass | 187.0303 |
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| SMILES | NC1CSCC(C(=O)O)=CC1=O |
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| InChI Key | KOPYLMVBLLUKLK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | cyclic ketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganoheterocyclic compoundsorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carboxylic aciddialkylthioethercyclic ketonecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
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