| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:09 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO3S2 |
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| Molecular Mass | 216.9867 |
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| SMILES | CC(=O)C1=NC(C(=O)O)CSC1=S |
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| InChI Key | VLLAOYHEGSIMCW-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 | azacyclic compoundscarbodithiolactonescarboxylic acidsdithiocarboxylic acid estershydrocarbon derivativesketiminesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminecarbonyl groupcarboxylic acidimineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundketonedithiocarboxylic acid esterorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compounddithiocarboxylic acid or derivativesazacycleorganic 1,3-dipolar compoundcarbodithiolactonemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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