Bilirubin
Graphical representations:
View large 3D structure
Molecular Formula: C33H36N4O6
Natural Isotopic Abundance Mass: 584.66214
Mono-Isotopic Molecular Masses:
- C12N14: 584.263484909
- C13N14: 617.3741945564
- C12N15: 588.2516244818
- C13N15: 621.3623341292
InChI string: InChI=1S/C33H36N4O6/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/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
PubChem Compound (CID): 5280352CAS Registry number: 635-65-4
Sigma-Aldrich: B4126_SIGMA
MMDB: 65823.5
KEGG Compound ID: C00486
MMCD: cq_00341
MDL: MFCD00005499
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)