| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:13 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178991 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H21N3O2S |
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| Molecular Mass | 247.1354 |
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| SMILES | CSCC(N)C(=O)NC(CC(C)C)C(N)=O |
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| InChI Key | AFNREPAWQSSRIH-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 acids and derivativescysteine and derivativesdialkylthioethersfatty amideshydrocarbon derivativesleucine and derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupfatty amidealpha-amino acid or derivativesorganosulfur compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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