(Z,Z)-bilirubin-IX α

(<i>Z,Z</i>)-bilirubin-IX α




Chemical Formula:
C33H34N4O6
Molecular Weight:
582.655 Daltons
Monoisotopic Mass:
584.263484909 Daltons
SMILES:
C=CC1(=C(C)C(NC1=CC4(=C(C)C(CCC([O-])=O)=C(CC2(=C(CCC([O-])=O)C(C)=C(N2)C=C3(C(C)=C(C=C)C(=O)N3)))N4))=O)
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)/p-2/b26-13-,27-14-
InChIKey:
BPYKTIZUTYGOLE-IFADSCNNSA-L

Synonyms
  • 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionate
  • (Z,Z)-α-bilirubin

Databases
MetaCyc:  BILIRUBIN
PubChem (CID):  129320511 7067843
MetaboLights:  MTBLC57977
HMDB:  HMDB00054
ChemSpider:  5422898
ChEBI:  57977
KEGG:  C00486
Seed:  cpd00376
MetaNetX:  MNXM534