| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:05 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226799 |
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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 | CC(C)CC(NC(=S)NC(CCC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | BWCVQLZEZSTDPJ-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesleucine and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureastricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupthioureacarboxylic acidtricarboxylic acid or derivativesglutamic acid or derivativesorganosulfur compoundorganic oxideorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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