| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:25 UTC |
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| Update Date | 2025-03-25 00:49:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172549 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N2O4S |
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| Molecular Mass | 314.13 |
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| SMILES | CCC1=C(C)C(CSCCC(NC(C)=O)C(=O)O)NC1=O |
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| InChI Key | SURDEDBSCRNCAI-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheterocyclic fatty acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamidesulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundpyrrolinethioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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