| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:23 UTC |
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| Update Date | 2025-03-21 18:05:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058341 |
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| Frequency | 60.6 |
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| Structure | |
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| Chemical Formula | C9H13NO3S |
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| Molecular Mass | 215.0616 |
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| SMILES | O=C(O)CCC1SCC2CC(=O)NC21 |
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| InChI Key | JHJCDWYCLZRMTQ-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 derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amidesthiolanes |
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| Substituents | thiolane2-pyrrolidonecarbonyl grouplactamcarboxylic acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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