| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:32 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184213 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO4 |
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| Molecular Mass | 255.1471 |
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| SMILES | NC(C(=O)O)C(=O)C=CCCCCCCCC=O |
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| InChI Key | OHGOKHYJFSSIJC-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 acidsalpha-hydrogen aldehydesamino 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 compoundenonealdehydeamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydeketo acidhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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