| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:07 UTC |
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| Update Date | 2025-03-25 00:46:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H14N2O6S2 |
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| Molecular Mass | 286.0293 |
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| SMILES | CSCCC(NC(=O)CNS(=O)(=O)O)C(=O)O |
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| InChI Key | MQGDPKXNGMAQFG-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfuric acid monoamidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesorganic sulfuric acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativessulfuric acid monoamidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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