| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:23 UTC |
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| Update Date | 2025-03-21 18:36:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108873 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C8H14N2O8S |
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| Molecular Mass | 298.0471 |
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| SMILES | NC(CCC(=O)NCCC(=O)OS(=O)(=O)O)C(=O)O |
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| InChI Key | OKNIUKHYJRXAFR-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 acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativescarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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