| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:16 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 | DMID02151762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O5S2 |
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| Molecular Mass | 339.0923 |
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| SMILES | NC(CCC(=O)NCCSCSCC(N)C(=O)O)C(=O)O |
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| InChI Key | BLPACOJVIJRCGS-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 derivativesdialkylthioethersdicarboxylic acids and derivativesdithioacetalsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminethioacetalorganic nitrogen compoundorganooxygen compound |
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