| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:17 UTC |
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| Update Date | 2025-03-25 00:45:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151807 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O7S |
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| Molecular Mass | 306.0522 |
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| SMILES | NC(CCC(=O)NC(=O)CSCC(=O)C(=O)O)C(=O)O |
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| InChI Key | IHWXIHCQGHCWHB-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 acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboximidesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivativessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesshort-chain keto acidorganosulfur compoundalpha-hydroxy ketoneketonecarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compounddicarboximidesulfenyl compounddialkylthioethern-acyl-aminecarboxylic acid imideorganic oxygen compoundthioetherketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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