| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:37 UTC |
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| Update Date | 2025-03-21 18:35:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106983 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C8H12N2O3S |
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| Molecular Mass | 216.0569 |
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| SMILES | CC(=O)NC1=NC(C(=O)O)CCSC1 |
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| InChI Key | IKVGCJCTRKXMBN-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 | acetamidesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
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