bilirubin

Ligand id: 4577

Name: bilirubin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 12
Topological polar surface area 164.38
Molecular weight 584.26
XLogP 3.31
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethenyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
Database Links
CAS Registry No. 635-65-4 (source: Scifinder)
ChEBI CHEBI:16990
ChEMBL Ligand CHEMBL501680
Human Metabolome Database HMDB00054
PubChem CID 5280352
RCSB PDB Ligand BLR
Search Google for chemical match using the InChIKey BPYKTIZUTYGOLE-IFADSCNNSA-N
Search Google for chemicals with the same backbone BPYKTIZUTYGOLE
Wikipedia Bilirubin