| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:39 UTC |
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| Update Date | 2025-03-21 18:30:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082941 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C11H20N2O5S2 |
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| Molecular Mass | 324.0814 |
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| SMILES | NC(CSCCC(=O)CCSCC(N)C(=O)O)C(=O)O |
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| InChI Key | SISBBUBEDPHMQL-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 | alpha amino acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundketoneorganic oxideorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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