| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:21 UTC |
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| Update Date | 2025-03-21 18:38:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123177 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C12H21N3O8S2 |
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| Molecular Mass | 399.077 |
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| SMILES | NC(CCC(=O)NC(CSSCC(N)C(=O)O)C(O)C(=O)O)C(=O)O |
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| InChI Key | WINQPYXJHPWFSM-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 acids and derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfideshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesalpha-hydroxy acidfatty amidemonosaccharidetricarboxylic acid or derivativesorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compoundhydroxy acidcarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amidedialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidecysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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