| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:30 UTC |
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| Update Date | 2025-03-21 18:40:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128269 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C13H22N4O7S3 |
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| Molecular Mass | 442.0651 |
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| SMILES | NC(CCC(=O)NC(CSSCC(N)C(=O)O)C(=S)NCC(=O)O)C(=O)O |
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| InChI Key | OVIKEBAOQZQTGN-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 derivativesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioamidesthiocarbonyl compoundsthiocarboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidethiocarbonyl grouptricarboxylic acid or derivativesorganosulfur compoundorganic oxidethioamideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundthiocarboxylic acid amidecarboxamide groupn-acyl-aminesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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