| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:23 UTC |
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| Update Date | 2025-03-21 18:29:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00077504 |
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| Frequency | 37.9 |
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| Structure | |
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| Chemical Formula | C14H23NO4S2 |
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| Molecular Mass | 333.1068 |
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| SMILES | CSC=C(C)CC1(O)C=CC(O)CC1SCC(N)C(=O)O |
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| InChI Key | RPIZIQAWARCVDE-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundstertiary alcoholsthioenol ethers |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compounddialkylthioethertertiary alcoholmonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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