| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:03 UTC |
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| Update Date | 2025-03-21 18:05:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055153 |
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| Frequency | 58.1 |
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| Structure | |
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| Chemical Formula | C10H17N3O6S |
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| Molecular Mass | 307.0838 |
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| SMILES | NC(CCC(=O)NC(=O)CSCC(N)C(=O)O)C(=O)O |
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| InChI Key | WKPICBLDMMNHAB-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 | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboximidesdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty acidorganosulfur compoundcarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidesulfenyl compounddialkylthioethern-acyl-aminecarboxylic acid imideorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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