| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:10 UTC |
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| Update Date | 2025-03-25 00:46:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153879 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N3O6S2 |
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| Molecular Mass | 369.1028 |
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| SMILES | CS(=O)CCCCNC(SCC(NC(=O)CN)C(=O)O)C(=O)O |
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| InChI Key | CKLMHYDBCXABEH-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 acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfoxidesthiohemiaminal derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativessulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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