| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:09 UTC |
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| Update Date | 2025-03-21 18:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031697 |
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| Frequency | 115.9 |
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| Structure | |
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| Chemical Formula | C7H12N2O4S |
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| Molecular Mass | 220.0518 |
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| SMILES | NC(=O)CCC(NC(=O)CS)C(=O)O |
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| InChI Key | HAABWJJQOYAMRX-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidsfatty acids and conjugatesfatty amideshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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