| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:41 UTC |
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| Update Date | 2025-03-25 00:51:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189184 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O6S2 |
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| Molecular Mass | 354.0919 |
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| SMILES | CC(C)CC(N)C(=O)NC(CSSCC(O)C(=O)O)C(=O)O |
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| InChI Key | CLMVHWGRCDQYBS-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 | dipeptides |
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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 derivativesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesleucine and derivativesmonoalkylaminesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidfatty amidemonosaccharidealpha-amino acid or derivativesorganosulfur compoundsaccharideorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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