| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:37 UTC |
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| Update Date | 2025-03-21 18:00:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025772 |
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| Frequency | 149.4 |
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| Structure | |
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| Chemical Formula | C19H32N2O5S |
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| Molecular Mass | 400.2032 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO |
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| InChI Key | WWAVBOIZZNUHJF-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidemonosaccharideorganosulfur compoundcarbothioic s-estersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundfatty acyl thioesterthiolactonealcoholthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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