| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:49 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189526 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H41NO4 |
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| Molecular Mass | 431.3036 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4=CCCCC4(C)C3CC(O)C12C |
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| InChI Key | BWELPPCKWMGNRP-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 | bile acids, alcohols and derivatives |
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| Direct Parent | bile acids, alcohols and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 12-hydroxysteroidsacyl glycinesalpha amino acidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdelta-4-steroidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl group12-hydroxysteroidcarboxylic acidfatty amidealpha-amino acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic homopolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholdelta-4-steroidn-acyl-alpha-amino acidhydroxysteroidcyclic alcoholcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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