| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:31 UTC |
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| Update Date | 2025-03-21 18:34:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099297 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C14H21NO5S2 |
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| Molecular Mass | 347.0861 |
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| SMILES | O=C(O)CCCCC1SCC2NC(=O)C(CCC(=O)O)C2S1 |
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| InChI Key | PMCXASPQJBCELA-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesdithianesdithioacetalsheterocyclic fatty acidshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acid1,3-dithianeheterocyclic fatty acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativethioacetalorganic nitrogen compoundorganooxygen compound |
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