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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