| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:34 UTC |
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| Update Date | 2025-03-21 18:07:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068276 |
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| Frequency | 44.4 |
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| Structure | |
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| Chemical Formula | C13H20N2O7S |
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| Molecular Mass | 348.0991 |
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| SMILES | NC(CSC1CC(O)C=CC1(O)CC(=O)O)C(=O)NCC(=O)O |
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| InChI Key | RYSRLBWGFNMKSU-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 | acyl glycines |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesdipeptidesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidetertiary alcoholthia fatty acidorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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