| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:30 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152296 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO4S3 |
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| Molecular Mass | 311.032 |
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| SMILES | NC(CSC1CCSSC1CCC(=O)O)C(=O)O |
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| InChI Key | IHUNZKBQHQBCAO-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 acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesdithianesfatty acylshydrocarbon derivativesmonoalkylaminesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compounddialkylthioether1,2-dithianethia fatty acidorganic oxygen compoundthioetherorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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