| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:11 UTC |
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| Update Date | 2025-03-25 00:51:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190312 |
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| Frequency | 0.5 |
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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)C(NC(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | NEVCQIPGSMNOSR-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 | 1,3-dicarbonyl compoundsalkylthiolsalpha amino acid amidesalpha amino acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidesshort-chain keto acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amideshort-chain keto acidalpha-amino acid or derivativesorganosulfur compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compound1,3-dicarbonyl compoundalkylthiolorganooxygen compound |
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