| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:36 UTC |
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| Update Date | 2025-03-25 00:58:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230070 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19NO4S |
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| Molecular Mass | 261.1035 |
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| SMILES | CCCCC=C(O)C(=O)CSCC(N)C(=O)O |
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| InChI Key | KAZJCVPSWPGBLI-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 | acryloyl compoundsalpha amino acidsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonescarboxylic acidsdialkylthioethersenoneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonealpha-branched alpha,beta-unsaturated-ketonesulfenyl compounddialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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