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CHEBI:132996 - (E,E)-bilirubin

Default Structure
ChEBI IDCHEBI:132996
ChEBI Name(E,E)-bilirubin
Stars
ASCII Name(E,E)-bilirubin
DefinitionA 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.
Last Modified12 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC33H36N4O6
Net Charge0
Average Mass584.673
Monoisotopic Mass584.26348
SMILESC=CC1=C(C)/C(=C\c2nc(Cc3nc(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
InChIInChI=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+
InChIKeyBPYKTIZUTYGOLE-BMNRKXRESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(E,E)-bilirubin anion (CHEBI:132995) is conjugate base of (E,E)-bilirubin (CHEBI:132996)
Registry NumbersSources
Reaxys:635396Reaxys