| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:36 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H15N3O6S3 |
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| Molecular Mass | 333.0123 |
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| SMILES | NC(CSSCC(N)C(=O)NCS(=O)(=O)O)C(=O)O |
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| InChI Key | JUKIJOXULKXUIB-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 | alpha amino acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfenyl compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidecarboxamide groupsecondary carboxylic acid amidedialkyldisulfidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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