| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:54 UTC |
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| Update Date | 2025-03-21 18:37:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117379 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C12H21NO3S |
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| Molecular Mass | 259.1242 |
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| SMILES | CCCCC=CC(=O)CSCCC(N)C(=O)O |
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| InChI Key | HXKIXLNNRTXJIH-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 | acryloyl compoundscarboxylic acidsdialkylthioethersenonesfatty acylshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenonesulfenyl compounddialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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