| 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 01:00:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H36N2O4S |
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| Molecular Mass | 424.2396 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C=CCCCCC |
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| InChI Key | AITGPEQSJBWMBI-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 derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganosulfur compoundcarboxamide groupn-acyl-aminebeta amino acid or derivativescarbothioic s-estersecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundfatty acyl thioesterthiolactoneorganooxygen compound |
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