Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:30:18 UTC |
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Update Date | 2025-03-21 18:41:32 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00134718 |
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Frequency | 18.7 |
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Structure | |
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Chemical Formula | C10H15NO5S |
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Molecular Mass | 261.0671 |
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SMILES | NC(=O)CSC1CC(O)C=CC1(O)CC(=O)O |
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InChI Key | IERMUTGNBJYFOQ-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 | carbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholssulfenyl compoundstertiary alcoholsthia fatty acids |
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Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioethercarboxamide grouptertiary alcoholmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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