| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:36 UTC |
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| Update Date | 2025-03-21 18:40:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130864 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C20H29NO5S |
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| Molecular Mass | 395.1766 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(=O)SCC(NCC(=O)O)C(=O)O |
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| InChI Key | JQGKOSFQSXFIBC-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonesecondary aliphatic aminethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estersecondary amineorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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