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CHEBI:74622 - 15-oxo-β-bilirubin

ChEBI IDCHEBI:74622
ChEBI Name15-oxo-β-bilirubin
Stars
ASCII Name15-oxo-beta-bilirubin
DefinitionA biladiene that is the 15-oxo derivative of β-bilirubin.
Last Modified9 July 2013
SubmitterSteve
DownloadsMolfile
FormulaC33H34N4O7
Net Charge0
Average Mass598.656
Monoisotopic Mass598.24275
SMILESC=CC1=C(C)/C(=C/c2nc(C(=O)c3nc(/C=C4\NC(=O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C)c(C)c2C=C)NC1=O
InChIInChI=1S/C33H34N4O7/c1-7-19-16(4)29(34-24(19)13-23-15(3)20(8-2)33(44)36-23)31(42)30-17(5)21(9-11-27(38)39)25(35-30)14-26-22(10-12-28(40)41)18(6)32(43)37-26/h7-8,13-14,34-35H,1-2,9-12H2,3-6H3,(H,36,44)(H,37,43)(H,38,39)(H,40,41)/b23-13-,26-14-
InChIKeyULCYRFMKALIVKM-BIBXUMTPSA-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)
15-oxo-β-bilirubin (CHEBI:74622) is a biladienes (CHEBI:36735)
15-oxo-β-bilirubin (CHEBI:74622) is a dicarboxylic acid (CHEBI:35692)
15-oxo-β-bilirubin (CHEBI:74622) is conjugate acid of 15-oxo-β-bilirubin(2−) (CHEBI:74362)
Incoming Relation(s)
15-oxo-β-bilirubin(2−) (CHEBI:74362) is conjugate base of 15-oxo-β-bilirubin (CHEBI:74622)
Citations