| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:04 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180980 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4S |
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| Molecular Mass | 215.0252 |
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| SMILES | O=C(O)CCC=C1N=C(C(=O)O)CS1 |
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| InChI Key | JQTGQWWKAAVPHD-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 | heterocyclic fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidmeta-thiazolineazacycleheterocyclic fatty acidimineorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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