| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:52 UTC |
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| Update Date | 2025-03-21 17:56:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003517 |
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| Frequency | 1698.9 |
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| Structure | |
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| Chemical Formula | C9H16N2O5S |
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| Molecular Mass | 264.078 |
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| SMILES | CC(=O)NC(CCSCC(N)C(=O)O)C(=O)O |
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| InChI Key | QZBXVXZDGHQJLW-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 acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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