CHEBI:137921 - lithocholic acid 3-O-(β-D-glucuronide)

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ChEBI Name lithocholic acid 3-O-(β-D-glucuronide) ChEBI ID CHEBI:137921 ChEBI ASCII Name lithocholic acid 3-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid that is lithocholic acid having a single β-D-glucuronic acid residue attached at position 3. 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(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37)/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1 InChIKey GIQXKAXWRLHLDD-VYACWCJYSA-N SMILES C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])C Metabolite of Species Details Rattus norvegicus (NCBI:txid10116) See: PubMed Homo sapiens (NCBI:txid9606) See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). View more via ChEBI Ontology ChEBI Ontology Outgoing lithocholic acid 3-O-(β-D-glucuronide) (CHEBI:137921) has functional parent lithocholic acid (CHEBI:16325) lithocholic acid 3-O-(β-D-glucuronide) (CHEBI:137921) has role human urinary metabolite (CHEBI:84087) lithocholic acid 3-O-(β-D-glucuronide) (CHEBI:137921) has role rat metabolite (CHEBI:86264) lithocholic acid 3-O-(β-D-glucuronide) (CHEBI:137921) is a β-D-glucosiduronic acid (CHEBI:15341) lithocholic acid 3-O-(β-D-glucuronide) (CHEBI:137921) is a dicarboxylic acid (CHEBI:35692) lithocholic acid 3-O-(β-D-glucuronide) (CHEBI:137921) is a steroid glucosiduronic acid (CHEBI:26763) lithocholic acid 3-O-(β-D-glucuronide) (CHEBI:137921) is conjugate acid of lithocholate 3-O-(β-D-glucuronide)(2−) (CHEBI:136965) Incoming lithocholate 3-O-(β-D-glucuronide)(2−) (CHEBI:136965) is conjugate base of lithocholic acid 3-O-(β-D-glucuronide) (CHEBI:137921) IUPAC Name 24-hydroxy-24-oxo-5β-cholan-3α-yl β-D-glucopyranosiduronic acid Synonyms Sources (3α,5β)-24-hydroxy-24-oxocholan-3-yl β-D-glucopyranosiduronic acid IUPAC LCA-3G ChEBI Lithocholate 3-O-beta-D-glucuronide ChemIDplus Lithocholate 3-O-glucuronide ChemIDplus lithocholic acid 3-β-D-glucuronide ChEBI lithocholic acid 3-β-glucuronide ChEBI lithocholic acid 3-glucuronide ChEBI Lithocholic acid glucuronide ChemIDplus Registry Numbers Types Sources 26575526 Reaxys Registry Number Reaxys 75239-91-7 CAS Registry Number ChemIDplus Citations Types Sources 12191677 PubMed citation Europe PMC 16749861 PubMed citation Europe PMC 1916672 PubMed citation Europe PMC 20374298 PubMed citation Europe PMC 2351869 PubMed citation Europe PMC 23756265 PubMed citation Europe PMC 7751593 PubMed citation Europe PMC 8344113 PubMed citation Europe PMC 9367176 PubMed citation Europe PMC Last Modified 17 July 2017