| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:57 UTC |
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| Update Date | 2025-03-21 18:05:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059677 |
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| Frequency | 52.6 |
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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(CCC(=O)NC(=O)CS)C(=O)O |
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| InChI Key | VNTPXIARZWMSGR-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 acidsdicarboximidesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty acidorganosulfur compoundn-acyl-aminecarboxylic acid imidecarboxylic acid imide, n-unsubstitutedorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminedicarboximideorganic nitrogen compoundalkylthiolorganooxygen compound |
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