| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:19 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151879 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H33N3O6S2 |
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| Molecular Mass | 475.1811 |
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| SMILES | NC(CCCCNC(=O)CCC1C(=O)NC2CSC(CCCCC(=O)O)SC21)C(=O)O |
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| InChI Key | RAYYHMLGVFMTAL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesdithianesdithioacetalsfatty amidesheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | fatty acyl2-pyrrolidonecarbonyl grouplactamcarboxylic acid1,3-dithianeheterocyclic fatty acidfatty amidefatty acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpyrrolidinepyrrolidoneorganoheterocyclic compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminethioacetalorganic nitrogen compoundorganooxygen compound |
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