| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:20 UTC |
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| Update Date | 2025-03-21 17:58:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011612 |
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| Frequency | 397.1 |
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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(CSCCC(N)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | XXYPCXTXNZUKDF-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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