| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:42 UTC |
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| Update Date | 2025-03-21 18:35:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104721 |
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| Frequency | 25.9 |
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| Structure | |
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| Chemical Formula | C6H7N3O4S |
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| Molecular Mass | 217.0157 |
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| SMILES | NC(=O)NC1N=C(C(=O)O)CSC1=O |
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| InChI Key | WWRYEQMTRMLXRY-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 compoundscarbonyl compoundscarbothioic s-lactonescarboxylic acidshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthioestersthiolactones |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminepropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactoneorganoheterocyclic compoundcarbothioic s-lactonethiocarboxylic acid or derivativescarbonic acid derivativeazacyclethiocarboxylic acid esterorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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