CHEBI:137807 - lithocholic acid 24-O-(β-D-glucuronide)

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ChEBI Name lithocholic acid 24-O-(β-D-glucuronide) ChEBI ID CHEBI:137807 ChEBI ASCII Name lithocholic acid 24-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of lithodeoxycholic acid with the anomeric hydroxy group of β-D-glucuronic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H48O9 Net Charge 0 Average Mass 552.698 Monoisotopic Mass 552.32983 InChI InChI=1S/C30H48O9/c1-15(4-9-22(32)38-28-25(35)23(33)24(34)26(39-28)27(36)37)19-7-8-20-18-6-5-16-14-17(31)10-12-29(16,2)21(18)11-13-30(19,20)3/h15-21,23-26,28,31,33-35H,4-14H2,1-3H3,(H,36,37)/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1 InChIKey YRGNGOBHHWKRFH-VYACWCJYSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@@]4([C@@H](CCC(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)=O)C)[H])[H])C)[H])C Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) has functional parent lithocholic acid (CHEBI:16325) lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) has role human urinary metabolite (CHEBI:84087) lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) is a β-D-glucosiduronic acid (CHEBI:15341) lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) is a O-acyl carbohydrate (CHEBI:52782) lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) is a steroid glucosiduronic acid (CHEBI:26763) lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) is conjugate acid of lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) Incoming lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902) is conjugate base of lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) IUPAC Name 1-O-(3α-hydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronic acid Synonyms Sources 1-O-[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronic acid IUPAC LCA-24G ChEBI lithocholic acid 24-β-D-glucuronide ChEBI lithocholic acid 24-β-glucuronide ChEBI lithocholic acid 24-glucuronic acid ChEBI lithocholic acid 24-glucuronide ChEBI Registry Number Type Source 8023295 Reaxys Registry Number Reaxys Citations Types Sources 16871576 PubMed citation Europe PMC 23756265 PubMed citation Europe PMC Last Modified 11 July 2017