| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 14:54:18 UTC |
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| Update Date | 2025-03-25 00:51:38 UTC |
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| HMDB ID | HMDB0242370 |
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| Metabolite Identification |
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| DeepMet ID | DMID02188306 |
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| Name | Cholylalanine |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H45NO6 |
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| Molecular Mass | 479.3247 |
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| SMILES | CC(NC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)C(=O)O |
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| InChI Key | AZWGEBXBDOIOHW-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-hydroxysteroids3-hydroxysteroids7-hydroxysteroidsalanine and derivativesalpha amino acidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic 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 derivativesalcoholn-acyl-alpha-amino acid3-hydroxysteroidhydroxysteroidcyclic alcoholcarboxamide group7-hydroxysteroidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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