| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:32 UTC |
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| Update Date | 2025-03-25 00:49:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172807 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO4S |
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| Molecular Mass | 311.1191 |
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| SMILES | CCC=CC=CC=CC(=O)SCCCC(O)=NCC(=O)O |
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| InChI Key | PDWGBCMPUBQEDC-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboximidic acidscarboxylic acidsfatty acyl thioestershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganosulfur compoundcarbothioic s-esterpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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