Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:53 UTC |
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Update Date | 2025-03-21 18:02:50 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00040622 |
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Frequency | 85.0 |
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Structure | |
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Chemical Formula | C8H17NO6S |
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Molecular Mass | 255.0777 |
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SMILES | CC(C)(CO)C(O)C(=O)NCCS(=O)(=O)O |
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InChI Key | IZRUXXTXKZAGQQ-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 amides |
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Direct Parent | n-acyl amines |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | carbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary alcoholssecondary carboxylic acid amidessulfonyls |
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Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl grouporganosulfonic acidmonosaccharideorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholcarboxamide groupn-acyl-aminesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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