| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:07 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206071 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N2O3S |
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| Molecular Mass | 328.1821 |
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| SMILES | NC(=O)CCCCC1C=CCCC1CSCCC(N)C(=O)O |
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| InChI Key | SAMXBTWUSMFOJG-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | primary carboxylic acid amidefatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboxamide groupmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetheraliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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