| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:21 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252484 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O6S |
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| Molecular Mass | 320.1042 |
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| SMILES | NC(CCC(=O)NC(CS)C(=O)CCCC(=O)O)C(=O)O |
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| InChI Key | UDZAZCFJGWMGBA-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 | alkylthiolsalpha amino acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidethia fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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