| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:30 UTC |
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| Update Date | 2025-03-21 18:38:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121180 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C23H42N2O6 |
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| Molecular Mass | 442.3043 |
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| SMILES | CCCCCCCCCCCCCC=CC(O)C(NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | WUYKZKMSSBAGCH-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativeshydroxy fatty acidslong-chain fatty acidsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidglutamine or derivativesfatty amidealpha-amino acid or derivativesbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupamino fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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