| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:20 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N3O5S |
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| Molecular Mass | 321.1358 |
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| SMILES | CSCCC(NC(=O)CNCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | WXLVIGQGLZSFEL-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 acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmethionine and derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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