| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:05 UTC |
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| Update Date | 2025-03-25 00:46:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23N3O8S3 |
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| Molecular Mass | 445.0647 |
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| SMILES | CS(=O)(=O)CCSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | OQGKVXBSIKWGEB-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amidedialkyldisulfidesulfonylorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compoundsulfone |
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