| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:07 UTC |
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| Update Date | 2025-03-25 00:49:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C33H61NO4 |
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| Molecular Mass | 535.4601 |
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| SMILES | CCCCCCCCC=CC(=O)C(NC(=O)CCCCCCCCCCCCCCCCCCC)C(=O)O |
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| InChI Key | QBRGBERIFKHEGM-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 acidsenoneshydrocarbon derivativesketo fatty acidsmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesb'-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-ketonefatty amidealpha-amino acid or derivativesalpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesenonen-acyl-alpha-amino acidcarboxamide groupamino fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeacryloyl-grouporganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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