CHEBI:171719 - Quinidine barbiturate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quinidine barbiturate
ChEBI ID CHEBI:171719
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24N2O2.C12H12N2O3
Net Charge 0
Average Mass 556.663
Monoisotopic Mass 556.26857
InChI InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKey YHRUERMOPBDCFD-UHFFFAOYSA-N
SMILES OC(C1N2CC(C(C1)CC2)C=C)C3=C4C(=NC=C3)C=CC(OC)=C4.O=C1NC(=O)NC(=O)C1(CC)C2=CC=CC=C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Quinidine barbiturate (CHEBI:171719) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Manual Xrefs Databases
26329517 ChemSpider
DB01346 KEGG DRUG
HMDB0015436 HMDB
View more database links