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

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

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ChEBI ID	CHEBI:137791
ChEBI Name	cholic acid 24-O-(β-D-glucuronide)
Stars
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.
Last Modified	11 July 2017
Submitter	Steve
Downloads	Molfile

Formula	C30H48O11
Net Charge	0
Average Mass	584.703
Monoisotopic Mass	584.31966
SMILES	[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])[C@H](O)C2
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (23756370)

Roles Classification

Biological Role:

human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

ChEBI Ontology

Outgoing Relation(s)
	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 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 a β-D-glucosiduronic acid (CHEBI:15341)
	cholic acid 24-O-(β-D-glucuronide) (CHEBI:137791) is conjugate acid of cholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136900)
Incoming Relation(s)
Incoming Relation(s)	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	Source
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-glucuronide	ChEBI
cholic acid 24-β-glucuronide	ChEBI
cholic acid 24-β-D-glucuronide	ChEBI

Registry Numbers	Sources
Reaxys:8025077	Reaxys

Citations