| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:20 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181550 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO5S |
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| Molecular Mass | 287.0827 |
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| SMILES | O=C(O)CCCC1SCC2C(CC(=O)O)C(=O)NC12 |
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| InChI Key | ZYVFDZHSXJQRGS-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amidesthiolanes |
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| Substituents | thiolane2-pyrrolidonecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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