| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:34 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236870 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO6S |
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| Molecular Mass | 253.062 |
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| SMILES | O=C(CC(O)C(O)CO)NC(CS)C(=O)O |
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| InChI Key | GXSWFDUBLFPVNO-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholalcoholn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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