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M  END
> <ID>
CHEBI:16990

> <NAME>
bilirubin IXalpha

> <DEFINITION>
A member of the class of  biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produced in the reticuloendothelial system by the reduction of biliverdin and transported to the liver as a complex with serum albumin.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3099; CHEBI:13898; CHEBI:22870

> <SYNONYM>
bilirubin-IXalpha; bilirubin(Z,Z); Bilirubin; 8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione; 2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid; 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid; 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionic acid

> <IUPAC_NAME>
bilirubin; 3,18-diethenyl-2,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid

> <FORMULA>
C33H36N4O6; C33H36N4O6

> <MASS>
584.673

> <MONOISOTOPIC_MASS>
584.26348

> <CHARGE>
0

> <SMILES>
CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1

> <INCHI>
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-

> <INCHIKEY>
BPYKTIZUTYGOLE-IFADSCNNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
74376

> <CAS_REGISTRY_NUMBER>
635-65-4

> <GMELIN_REGISTRY_NUMBER>
411033

> <REAXYS_REGISTRY_NUMBER>
74376

> <CHEMIDPLUS>
635-65-4

> <KEGG_COMPOUND_ACCESSION>
C00486

> <KNAPSACK_ACCESSION>
C00029828

> <METACYC_ACCESSION>
BILIRUBIN

> <PDBECHEM_ACCESSION>
BLR

> <WIKIPEDIA_ACCESSION>
Bilirubin

> <PUBMED_CITATION>
12799017; 18442622; 23763371; 23768684; 30224965; 8605219; 9587403

$$$$