| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:15 UTC |
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| Update Date | 2025-03-25 00:45:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O3S2 |
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| Molecular Mass | 276.0602 |
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| SMILES | CC(=O)CCC1SCN=C1SCC(N)C(=O)O |
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| InChI Key | IIGVBAZHARGBAH-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 acidsazacyclic compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesimidothiolactonesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthiazolines |
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| Substituents | carbonyl groupcarboxylic acidmeta-thiazolineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacycledialkylthioetherorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundimidothiolactoneorganooxygen compound |
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