| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:59 UTC |
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| Update Date | 2025-03-21 18:06:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062174 |
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| Frequency | 49.9 |
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| Structure | |
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| Chemical Formula | C12H19NO3S |
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| Molecular Mass | 257.1086 |
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| SMILES | CCCC=CC=CC(=O)SCCNCC(=O)O |
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| InChI Key | LRVJQQXKCQJCDX-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 | amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsdialkylaminesfatty acyl thioestershydrocarbon derivativesmonocarboxylic acids and 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 aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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