| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:40 UTC |
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| Update Date | 2025-03-21 18:04:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052007 |
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| Frequency | 62.7 |
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| Structure | |
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| Chemical Formula | C12H19N3O7S |
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| Molecular Mass | 349.0944 |
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| SMILES | CC(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | FVRWSIPJNWXCEO-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalpha amino acid amidesalpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundthiolactonen-acyl-alpha amino acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidthiocarboxylic acid estercarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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