| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:48 UTC |
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| Update Date | 2025-03-25 01:00:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244312 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N2O5S |
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| Molecular Mass | 368.1406 |
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| SMILES | CCCC=CC=CC=CC(=O)SCC(NC(C)=O)C(=O)NCC(=O)O |
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| InChI Key | UYNOCNRDHMMCLO-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 compoundscarbothioic s-esterscarboxylic acidscysteine and derivativesdipeptidesfatty acyl thioestershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundalpha peptidecarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactoneacetamidethiocarboxylic acid or derivativessulfenyl compoundalpha-amino acid amidethiocarboxylic acid estercarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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