| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:46 UTC |
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| Update Date | 2025-03-21 18:34:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099935 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C8H16N2O5S3 |
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| Molecular Mass | 316.0221 |
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| SMILES | NC(CSC(=S)NCCCCS(=O)(=O)O)C(=O)O |
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| InChI Key | CLBOOENGOLCBJG-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 acidscarbonyl compoundscarboxylic acidsdithiocarbamic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfenyl compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundorganosulfonic acidorganosulfur compounddithiocarbamic acid esterorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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