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

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

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ChEBI ID	CHEBI:137807
ChEBI Name	lithocholic acid 24-O-(β-D-glucuronide)
Stars
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.
Last Modified	11 July 2017
Submitter	Steve
Downloads	Molfile

Formula	C30H48O9
Net Charge	0
Average Mass	552.705
Monoisotopic Mass	552.32983
SMILES	[H][C@]12CC[C@]3([H])[C@]([H])(CC[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/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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (23756265)

Roles Classification

Biological Role:

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

ChEBI Ontology

Outgoing Relation(s)
	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 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 a β-D-glucosiduronic acid (CHEBI:15341)
	lithocholic acid 24-O-(β-D-glucuronide) (CHEBI:137807) is conjugate acid of lithocholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136902)
Incoming Relation(s)
Incoming Relation(s)	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	Source
lithocholic acid 24-glucuronic acid	ChEBI
lithocholic acid 24-glucuronide	ChEBI
lithocholic acid 24-β-glucuronide	ChEBI
lithocholic acid 24-β-D-glucuronide	ChEBI
LCA-24G	ChEBI
1-O-[(3α,5β)-3-hydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronic acid	IUPAC

Registry Numbers	Sources
Reaxys:8023295	Reaxys

Citations