RefMet Compound Details

MW structure38481 (View MW Metabolite Database details)
RefMet nameD-Urobilinogen
Systematic name3-(2-{[3-(2-carboxyethyl)-5-[(4-ethenyl-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
SMILESCCC1=C(C)C(=O)NC1Cc1c(C)c(CCC(=O)O)c(Cc2c(CCC(=O)O)c(C)c(CC3C(=C(C=C)C(=O)N3)C)[nH]2)[nH]1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass590.310436 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC33H42N4O6View other entries in RefMet with this formula
InChIInChI=1S/C33H42N4O6/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)13-26-1
6(3)21(8-2)33(43)36-26/h8,26-27,34-35H,2,7,9-15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
InChIKeyKSQFFJKKJAEKTB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassBilirubins
Sub ClassBilirubins
Pubchem CID440784
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving D-Urobilinogen

Rxn IDKEGG ReactionEnzyme
R04979 Bilirubin beta-diglucuronide + 2 H2O + 3 Reduced acceptor <=> D-Urobilinogen + 2 D-Glucuronate + 3 AcceptorBilirubin beta-diglucuronide glucuronosohydrolase

Table of KEGG human pathways containing D-Urobilinogen

Pathway IDHuman Pathway# of reactions
hsa00860 Porphyrin and chlorophyll metabolism 1
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