| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:10 UTC |
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| Update Date | 2025-03-25 00:59:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240495 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H16N2O5S2 |
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| Molecular Mass | 272.0501 |
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| SMILES | NC(CCSCC(N)C(=O)O)CS(=O)(=O)O |
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| InChI Key | BHODGCPIGDFQQK-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 acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfenyl compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethermonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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