| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:02 UTC |
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| Update Date | 2025-03-25 00:49:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173966 |
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| Frequency | 0.5 |
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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 | CCCCCC=C=CC(=O)SCC(N)C(=O)O |
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| InChI Key | FFOKJOFBFQWFDX-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 2,3-dienoyl fatty acyl thioestersalpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acid2,3-dienoyl fatty acyl thioesterorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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