| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:52 UTC |
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| Update Date | 2025-03-25 00:45:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150828 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N2O4 |
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| Molecular Mass | 312.2049 |
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| SMILES | CCCCCCC=CC(=O)C(=O)NCCCCC(N)C(=O)O |
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| InChI Key | QYLRYUVBDGGVPL-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 acyclic compounds |
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| Alternative Parents | acryloyl compoundsamino fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidenonecarboxamide groupamino fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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