| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:41 UTC |
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| Update Date | 2025-03-21 18:06:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063761 |
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| Frequency | 48.4 |
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| Structure | |
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| Chemical Formula | C8H11NO4S |
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| Molecular Mass | 217.0409 |
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| SMILES | CC(O)C(=O)C1=NC(C(=O)O)CSC1 |
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| InChI Key | HGOOHNLYBGEQGS-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 acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acyloinsazacyclic compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetheracyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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