| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:39 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250911 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O2S |
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| Molecular Mass | 200.0619 |
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| SMILES | O=C(O)CCCSCc1c[nH]cn1 |
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| InChI Key | SWNGOKJKUYMZGL-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundazacycledialkylthioetherheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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