Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:16:14 UTC |
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Update Date | 2025-03-21 18:34:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00101059 |
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Frequency | 27.0 |
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Structure | |
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Chemical Formula | C7H9NO4S |
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Molecular Mass | 203.0252 |
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SMILES | O=C(O)CCC1N=C(C(=O)O)CS1 |
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InChI Key | ONJDEUGQHIWFFL-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 | thia fatty acids |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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Substituents | ketiminecarbonyl groupcarboxylic acidmeta-thiazolineazacycleiminedialkylthioetherorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidethia fatty acidorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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