| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:11 UTC |
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| Update Date | 2025-03-25 00:52:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H42N2O2 |
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| Molecular Mass | 354.3246 |
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| SMILES | CCCCCCCCCCCC=CC(CO)NC(=O)C(N)C(C)CC |
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| InChI Key | FRQRSVDWEZTMGS-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupalpha-amino acid amidefatty amidecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholisoleucine or derivativesorganooxygen compound |
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