CHEBI:132996 - (E,E)-bilirubin

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ChEBI Name (E,E)-bilirubin
ChEBI ID CHEBI:132996
ChEBI ASCII Name (E,E)-bilirubin
Definition A member of the class of biladienes that is an analogue of bilirubin in which the double bonds at position 4 and 15 have E-geochemistry.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H36N4O6
Net Charge 0
Average Mass 584.663
Monoisotopic Mass 584.26348
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-BMNRKXRESA-N
SMILES C=1(\C=C/2\NC(=O)C(=C2C=C)C)NC(=C(C1C)CCC(=O)O)CC=3NC(\C=C/4\NC(C(=C4C)C=C)=O)=C(C3CCC(=O)O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (E,E)-bilirubin (CHEBI:132996) is a biladienes (CHEBI:36735)
(E,E)-bilirubin (CHEBI:132996) is a dicarboxylic acid (CHEBI:35692)
(E,E)-bilirubin (CHEBI:132996) is conjugate acid of (E,E)-bilirubin anion (CHEBI:132995)
Incoming (E,E)-bilirubin anion (CHEBI:132995) is conjugate base of (E,E)-bilirubin (CHEBI:132996)
Registry Number Type Source
635396 Reaxys Registry Number Reaxys
Last Modified
12 August 2016