| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:12 UTC |
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| Update Date | 2025-03-21 18:37:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118118 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C10H20N2O6S |
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| Molecular Mass | 296.1042 |
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| SMILES | CCC(C)C(N)C(=O)NC(CCS(=O)(=O)O)C(=O)O |
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| InChI Key | XRUIZKXJRZTZQD-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 acidsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesisoleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonylsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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