| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:09 UTC |
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| Update Date | 2025-03-21 17:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011165 |
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| Frequency | 416.2 |
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| Structure | |
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| Chemical Formula | C18H33NO3 |
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| Molecular Mass | 311.246 |
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| SMILES | CCCCCCCCCCCCCC=CC(=O)C(N)C(=O)O |
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| InChI Key | VXZSYVQGBUIDKY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | long-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacryloyl compoundsalpha amino acidsamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativesketo fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidketo fatty acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-amino acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundenoneamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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