| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:43 UTC |
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| Update Date | 2025-03-25 00:55:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H40N2O7 |
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| Molecular Mass | 456.2836 |
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| SMILES | CCCCCCCCCCCC=CC(=O)OCC(CC(=O)O)NC(=O)CCC(N)C(=O)O |
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| InChI Key | QAHJFPCTIWAXPH-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 acidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidetricarboxylic acid or derivativesalpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoate estercarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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