| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:11 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067348 |
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| Frequency | 45.2 |
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| Structure | |
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| Chemical Formula | C17H28N2O6S |
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| Molecular Mass | 388.1668 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(O)CO |
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| InChI Key | BMQQZWZQEDJYDL-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 compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidemonosaccharideorganosulfur compoundcarbothioic s-estersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundprimary alcoholfatty 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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