| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:29 UTC |
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| Update Date | 2025-03-25 00:58:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229849 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O3S |
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| Molecular Mass | 310.1351 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)C1CCC(O)=N1 |
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| InChI Key | UVXXBOQQPGNZJC-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarbothioic s-esterscarboxylic acids and derivativescyclic carboximidic acidsfatty acyl thioestershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroline carboxylic acids and derivativessecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | carbonyl grouporganosulfur compoundcarbothioic s-esterpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactoneorganoheterocyclic compoundthiocarboxylic acid or derivativessulfenyl compoundazacyclethiocarboxylic acid esterpyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidepyrrolineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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