deoxycholic acid 24-O-(beta-D-glucuronide) (CHEBI:137799)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:137799 - deoxycholic acid 24-O-(β-D-glucuronide)

Take structure to advanced search

ChEBI ID	CHEBI:137799
ChEBI Name	deoxycholic acid 24-O-(β-D-glucuronide)
Stars
ASCII Name	deoxycholic acid 24-O-(beta-D-glucuronide)
Definition	A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of deoxycholic acid with the anomeric hydroxy group of β-D-glucuronic acid.
Last Modified	11 July 2017
Submitter	Steve
Downloads	Molfile

Formula	C30H48O10
Net Charge	0
Average Mass	568.704
Monoisotopic Mass	568.32475
SMILES	[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([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(C)CC[C@@H](O)C2
InChI	InChI=1S/C30H48O10/c1-14(4-9-22(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)18-7-8-19-17-6-5-15-12-16(31)10-11-29(15,2)20(17)13-21(32)30(18,19)3/h14-21,23-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1
InChIKey	MZVCLCMWDVOQAH-GYSLYLNXSA-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)
	deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) has functional parent deoxycholic acid (CHEBI:28834)
	deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) has role human urinary metabolite (CHEBI:84087)
	deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) is a O-acyl carbohydrate (CHEBI:52782)
	deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) is a steroid glucosiduronic acid (CHEBI:26763)
	deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) is a β-D-glucosiduronic acid (CHEBI:15341)
	deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) is conjugate acid of deoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136901)
Incoming Relation(s)
Incoming Relation(s)	deoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136901) is conjugate base of deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799)

IUPAC Name
1-O-(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)-β-D-glucopyranuronic acid

Synonyms	Source
deoxycholic acid 24-β-D-glucuronide	ChEBI
deoxycholic acid 24-β-glucuronide	ChEBI
deoxycholic acid 24-glucuronide	ChEBI
DCA-24G	ChEBI
1-O-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronic acid	IUPAC

Registry Numbers	Sources
Reaxys:8024212	Reaxys

Citations