| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:09 UTC |
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| Update Date | 2025-03-25 00:55:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210905 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19N3O6S |
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| Molecular Mass | 321.0995 |
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| SMILES | CC(=O)NC(CSC(N)NCCCC(=O)C(=O)O)C(=O)O |
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| InChI Key | DBOZBOYYTPBXMB-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesshort-chain keto acids and derivativessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundacetamidesecondary aliphatic aminesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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