| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:18 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21N3O7S |
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| Molecular Mass | 351.11 |
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| SMILES | NC(CCC(=O)NC(CSCC(=O)NCCO)C(=O)O)C(=O)O |
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| InChI Key | IYSYAKRHDKGOPX-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 | alcohols and polyolsalkanolaminesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsn-acylethanolaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidglutamine or derivativesfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminen-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acylethanolaminen-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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