| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:48 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198488 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25NO3S |
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| Molecular Mass | 311.1555 |
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| SMILES | CCCCCC=CC=CC=CC(=O)SCCC(N)C(=O)O |
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| InChI Key | MPFZCAXAEVEPKH-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-esterscarboxylic acidsfatty acyl thioestershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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