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CHEBI:29026 - urobilinogen

ChEBI IDCHEBI:29026
ChEBI Nameurobilinogen
Stars
DefinitionA member of the class of bilanes that is a colourless product formed in the intestine by the reduction of bilirubin.
Secondary ChEBI IDsCHEBI:5844, CHEBI:27246
Last Modified23 October 2015
DownloadsMolfile
FormulaC33H44N4O6
Net Charge0
Average Mass592.737
Monoisotopic Mass592.32609
SMILESCCC1=C(C)C(Cc2nc(Cc3nc(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
InChIInChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
InChIKeyOBHRVMZSZIDDEK-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
urobilinogen (CHEBI:29026) has role human metabolite (CHEBI:77746)
urobilinogen (CHEBI:29026) is a bilanes (CHEBI:22866)
urobilinogen (CHEBI:29026) is conjugate acid of urobilinogen(2−) (CHEBI:228218)
Incoming Relation(s)
urobilinogen(2−) (CHEBI:228218) is conjugate base of urobilinogen (CHEBI:29026)
IUPAC Name 
2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,4,5,10,15,16,19,22,23,24-decahydro-21H-biline-8,12-dipropanoic acid
Synonyms  Source
I-UrobilinogenKEGG COMPOUND
MesobilirubinogenKEGG COMPOUND
UrobilinogenKEGG COMPOUND
mesobilirubinogen IXαJCBN
urobilinogen IXαJCBN
2,17-diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acidChemIDplus
Manual XrefsDatabases
C05790KEGG COMPOUND
HMDB0004158HMDB
Registry NumbersSources
Reaxys:75461Reaxys
CAS:14684-37-8KEGG COMPOUND
CAS:14684-37-8ChemIDplus
Citations