bilirubin-IX β

Chemical Formula:

C₃₃H₃₄N₄O₆

Molecular Weight:

582.655 Daltons

Monoisotopic Mass:

584.263484909 Daltons

SMILES:

C=CC2(C(=C(NC(C=C1(C(C)=C(C=C)C(N1)=O))=2)CC4(NC(C=C3(C(CCC([O-])=O)=C(C)C(N3)=O))=C(CCC(=O)[O-])C=4C))C)

InChI:

1S/C33H36N4O6/c1-7-20-16(3)24(34-27(20)14-26-17(4)21(8-2)33(43)36-26)13-25-18(5)22(9-11-30(38)39)28(35-25)15-29-23(10-12-31(40)41)19(6)32(42)37-29/h7-8,14-15,34-35H,1-2,9-13H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-14+,29-15+

InChIKey:

MNGDAXJRPWAIKA-MGYGENIDSA-L

Synonyms

1,10,19,22,23,24-hexahydro-2,8,12,17-tetramethyl-1,19-dioxo-13,18-divinylbiline-3,7-dipropanoate
β-bilirubin

Databases

MetaCyc: CPD-19722

PubChem (CID): 129320319