| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:17:21 UTC |
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| Update Date | 2025-03-21 18:35:06 UTC |
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| HMDB ID | HMDB0002513 |
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| Metabolite Identification |
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| DeepMet ID | DMID00103872 |
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| Name | Lithocholate 3-O-glucuronide |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C30H48O9 |
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| Molecular Mass | 552.3298 |
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| SMILES | CC(CCC(=O)O)C1CCC2C3CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C |
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| InChI Key | GIQXKAXWRLHLDD-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 | steroidal glycosides |
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| Direct Parent | steroid glucuronide conjugates |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativesbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidecarboxylic acid derivativebile acid, alcohol, or derivativespyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativessteroid-glucuronide-skeletonhydrocarbon derivativeorganooxygen compound |
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