| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:41 UTC |
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| Update Date | 2025-03-21 18:38:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119272 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C15H24N2O4S |
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| Molecular Mass | 328.1457 |
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| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNCC(=O)O |
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| InChI Key | FFYKFRBDKMRANM-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 | alpha amino acidsamino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsdialkylaminesfatty acyl thioestershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha-amino acid or derivativesorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonesecondary aliphatic aminethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estersecondary aminecarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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