| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:41:54 UTC |
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| Update Date | 2025-03-21 17:59:14 UTC |
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| HMDB ID | HMDB0005193 |
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| Metabolite Identification |
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| DeepMet ID | DMID00019565 |
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| Name | CE(20:1) |
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| Frequency | 208.8 |
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| Structure | |
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| Chemical Formula | C47H82O2 |
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| Molecular Mass | 678.6315 |
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| SMILES | CCCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 |
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| InChI Key | OWTYWMJVQZQWFH-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 | steroids and steroid derivatives |
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| Subclass | steroid esters |
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| Direct Parent | cholesteryl esters |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscholesterols and derivativesdelta-5-steroidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | delta-5-steroidcarbonyl groupcarboxylic acid derivativecholesterolaliphatic homopolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativecholestane-skeletoncholesteryl esterorganooxygen compound |
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