| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:56 UTC |
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| Update Date | 2025-03-21 18:02:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040741 |
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| Frequency | 84.7 |
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| Structure | |
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| Chemical Formula | C11H17NO5S |
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| Molecular Mass | 275.0827 |
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| SMILES | NC(CSC1CCC=CC1(O)CC(=O)O)C(=O)O |
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| InChI Key | QCLWCEPVNASSEJ-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioethertertiary alcoholthia fatty acidorganic oxygen compoundthioethercysteine or derivativesaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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