biliverdin-IX β

Chemical Formula:

C₃₃H₃₂N₄O₆

Molecular Weight:

580.639 Daltons

Monoisotopic Mass:

582.2478348448001 Daltons

SMILES:

C=CC2(=C(C(N=C(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/C33H34N4O6/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/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b24-13+,26-14+,29-15+

InChIKey:

QKWKEIJIYMQJTE-VJSVJLEQSA-L

Synonyms

3,7-bis(2-carboxyethyl)-2,8,12,17-tetramethyl-13,18-divinylbilin-1,19(21H,24H)-dione

Databases

MetaCyc: CPD-19713

PubChem (CID): 126961108