| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:41 UTC |
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| Update Date | 2025-03-21 18:39:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126280 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C7H9NO5S |
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| Molecular Mass | 219.0201 |
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| SMILES | O=C(O)C1=NC(C(O)C(=O)O)CSC1 |
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| InChI Key | JSLKTASFIUZNFL-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 heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholsthia fatty acids |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminealpha-hydroxy acidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycledialkylthioetherorganic 1,3-dipolar compoundhydroxy acidthia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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