| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:35 UTC |
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| Update Date | 2025-03-21 18:36:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111766 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C27H42N2O7S |
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| Molecular Mass | 538.2713 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(=O)NC(=O)CCC(N)C(=O)O)C(O)CCCC(=O)O |
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| InChI Key | AUVALMPDMJWSAJ-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboximidesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidslong-chain fatty acidsmonoalkylaminesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidglutamine or derivativesorganosulfur compoundcarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty aciddicarboximidealcoholsulfenyl compounddialkylthioethern-acyl-aminecarboxylic acid imidethia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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