| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:12 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO6S |
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| Molecular Mass | 305.0933 |
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| SMILES | NC(CSC1CC(O)C=CC1(O)CC(=O)O)C(O)C=O |
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| InChI Key | YKFDZFVQBBAEQI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxyaldehydescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundstertiary alcoholsthia fatty acids |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxidealpha-hydroxyaldehydeorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioetheraldehydetertiary alcoholmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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