| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:43:45 UTC |
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| Update Date | 2025-03-21 17:59:52 UTC |
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| HMDB ID | HMDB0000698 |
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| Metabolite Identification |
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| DeepMet ID | DMID00023714 |
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| Name | Lithocholic acid glycine conjugate |
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| Frequency | 165.3 |
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| Structure | |
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| Chemical Formula | C26H43NO4 |
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| Molecular Mass | 433.3192 |
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| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
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| InChI Key | XBSQTYHEGZTYJE-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 | 3-hydroxysteroidsacyl glycinesalpha amino acidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic homopolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acid3-hydroxysteroidhydroxysteroidcyclic alcoholcarboxamide groupn-acyl-aminen-acylglycinesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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