| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:10 UTC |
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| Update Date | 2025-03-21 18:32:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093627 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C14H27N3O4S3 |
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| Molecular Mass | 397.1164 |
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| SMILES | CC(C)C(N)C(=O)NC(CSC(=S)NCCCCS(C)=O)C(=O)O |
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| InChI Key | XONJVJNUSRYIIN-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 derivativesdithiocarbamic acid estershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxidesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativessulfoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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