| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:21 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222993 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O9S2 |
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| Molecular Mass | 427.0719 |
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| SMILES | NC(CSSCC(NC(=O)CCC(O)C(=O)O)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | QGGQHNFGBVSEMT-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdipeptideshydrocarbon derivativesmonoalkylaminesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidfatty amidemonosaccharidetricarboxylic acid or derivativesorganosulfur compoundalpha peptidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compoundalpha-amino acid amidehydroxy acidcarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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