| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:35 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152471 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H15NO5S2 |
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| Molecular Mass | 257.0392 |
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| SMILES | NC(CCCSCCS(=O)(=O)O)C(=O)O |
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| InChI Key | MFHYCIDYLUUSST-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 acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfenyl compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethermonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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