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

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ChEBI Name deoxycholic acid 24-O-(β-D-glucuronide)
ChEBI ID CHEBI:137799
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H48O10
Net Charge 0
Average Mass 568.697
Monoisotopic Mass 568.32475
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
SMILES C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[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 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 β-D-glucosiduronic acid (CHEBI:15341)
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 conjugate acid of deoxycholic acid 24-O-(β-D-glucuronide)(1−) (CHEBI:136901)
Incoming 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 Sources
1-O-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-β-D-glucopyranuronic acid IUPAC
DCA-24G ChEBI
deoxycholic acid 24-β-D-glucuronide ChEBI
deoxycholic acid 24-β-glucuronide ChEBI
deoxycholic acid 24-glucuronide ChEBI
Registry Number Type Source
8024212 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