| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:04 UTC |
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| Update Date | 2025-03-21 18:02:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038700 |
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| Frequency | 90.3 |
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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 | CC(=O)C1CSCC(C(=O)O)=N1 |
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| InChI Key | PPMKEJVZLJYPIN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | imines |
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| Direct Parent | ketimines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycledialkylthioetherorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganopnictogen compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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