| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:14 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206319 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O4S |
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| Molecular Mass | 232.0518 |
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| SMILES | NC(CSC1C=C(C(=O)O)NC1)C(=O)O |
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| InChI Key | JZOUYUNICCNEOK-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspyrroline 2-carboxylic acidssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherpyrroline carboxylic acid or derivativessecondary aminepyrroline 2-carboxylic acidorganic oxygen compoundpyrrolinepyrroline carboxylic acidthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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