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Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:50:18 UTC
Update Date2024-04-30 19:33:05 UTC
Metabolite IDMMDBc0000576
Metabolite Identification
Common NameMesobilirubinogen
Description
Structure
Synonyms
ValueSource
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 acidChEBI
8,12-Bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilane-1,19(4H,16H)-dioneChEBI
I-urobilinogenChEBI
Mesobilirubinogen ixalphaChEBI
Urobilinogen ixalphaChEBI
UrobilinogenKegg
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-dipropanoateGenerator
2,17-Diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-biline-8,12-dipropionic acidHMDB
MesobilirubinogenChEBI
Mesobilirubinogen IXαHMDB
Urobilinogen IXαHMDB
Molecular FormulaC33H44N4O6
Average Mass592.7257
Monoisotopic Mass592.32608516
IUPAC Name3-(2-{[3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
Traditional Nameurobilinogen
CAS Registry NumberNot Available
SMILES
CCC1=C(C)C(=O)NC1CC1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(CC3NC(=O)C(CC)=C3C)N2)N1
InChI Identifier
InChI=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)
InChI KeyOBHRVMZSZIDDEK-UHFFFAOYSA-N