| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:17 UTC |
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| Update Date | 2025-03-21 18:28:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072399 |
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| Frequency | 41.3 |
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| Structure | |
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| Chemical Formula | C6H10N2O5S |
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| Molecular Mass | 222.031 |
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| SMILES | NC(CSC(=O)C(N)C(=O)O)C(=O)O |
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| InChI Key | AEIJHRNGNZSPLF-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 acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidscarbothioic s-esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarbothioic s-esterorganic oxideorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundthiolactoneorganooxygen compound |
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