| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:35 UTC |
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| Update Date | 2025-03-21 18:40:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128457 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C21H31NO4 |
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| Molecular Mass | 361.2253 |
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| SMILES | O=CCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O |
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| InChI Key | KPOUJPNDPQIYTH-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydrogen aldehydescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaldehydecarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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