CHEBI:137791 - cholic acid 24-O-(β-D-glucuronide)

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ChEBI Name cholic acid 24-O-(β-D-glucuronide)
ChEBI ID CHEBI:137791
ChEBI ASCII Name cholic acid 24-O-(beta-D-glucuronide)
Definition A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of cholic acid with the anomeric hydroxy group of β-D-glucuronic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H48O11
Net Charge 0
Average Mass 584.697
Monoisotopic Mass 584.31966
InChI InChI=1S/C30H48O11/c1-13(4-7-21(34)40-28-25(37)23(35)24(36)26(41-28)27(38)39)16-5-6-17-22-18(12-20(33)30(16,17)3)29(2)9-8-15(31)10-14(29)11-19(22)32/h13-20,22-26,28,31-33,35-37H,4-12H2,1-3H3,(H,38,39)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKey AIUGVBWFKAVAIZ-SXYQVCRBSA-N
SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[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)O)[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 cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791) has functional parent cholic acid (CHEBI:16359)
cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791) has role human urinary metabolite (CHEBI:84087)
cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791) is a β-D-glucosiduronic acid (CHEBI:15341)
cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791) is a O-acyl carbohydrate (CHEBI:52782)
cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791) is a steroid glucosiduronic acid (CHEBI:26763)
cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791) is conjugate acid of cholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136900)
Incoming cholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136900) is conjugate base of cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791)
IUPAC Name
1-O-(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronic acid
Synonyms Sources
1-O-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronic acid IUPAC
CA-24G ChEBI
cholic acid 24-β-D-glucuronide ChEBI
cholic acid 24-β-glucuronide ChEBI
cholic acid 24-glucuronide ChEBI
Registry Number Type Source
8025077 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23756265 PubMed citation Europe PMC
23756370 PubMed citation Europe PMC
Last Modified
11 July 2017