| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:35 UTC |
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| Update Date | 2025-03-21 18:02:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039911 |
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| Frequency | 86.9 |
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| Structure | |
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| Chemical Formula | C8H11NO3S2 |
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| Molecular Mass | 233.018 |
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| SMILES | O=C(O)CCC1SCC2SC(=O)NC12 |
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| InChI Key | CBJUKDVWFGQSQE-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazolidinesthiolactonesthiolanes |
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| Substituents | thiolanecarbonyl groupcarbonic acid derivativecarboxylic acidazacycledialkylthioethercarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganoheterocyclic compoundorganooxygen compoundthiazolidine |
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