| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:37 UTC |
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| Update Date | 2025-03-25 00:49:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173004 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H23N3O3S2 |
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| Molecular Mass | 309.1181 |
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| SMILES | CCC(C)C(NC(=O)C(N)CSSCCN)C(=O)O |
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| InChI Key | VIYZULCIQBVTJW-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 acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfideshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidedialkyldisulfidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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