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CHEBI:74621 - 5-oxo-δ-bilirubin

ChEBI IDCHEBI:74621
ChEBI Name5-oxo-δ-bilirubin
Stars
ASCII Name5-oxo-delta-bilirubin
DefinitionA biladiene that is the 5-oxo derivative of δ-bilirubin (more correctly known as 10-oxo-δ-bilirubin; see comment).
Last Modified4 May 2018
SubmitterSteve
DownloadsMolfile
FormulaC33H34N4O7
Net Charge0
Average Mass598.656
Monoisotopic Mass598.24275
SMILESC=CC1=C(C)C(=O)N/C1=C\c1nc(C(=O)c2nc(/C=C3\NC(=O)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)c(C=C)c1C
InChIInChI=1S/C33H34N4O7/c1-7-19-17(5)32(43)36-24(19)13-23-15(3)20(8-2)30(34-23)31(42)29-16(4)21(9-11-27(38)39)25(35-29)14-26-22(10-12-28(40)41)18(6)33(44)37-26/h7-8,13-14,34-35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,44)(H,38,39)(H,40,41)/b24-13-,26-14-
InChIKeyPKYGGJJSPHKEPX-SOSDAJRSSA-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)
5-oxo-δ-bilirubin (CHEBI:74621) is a biladienes (CHEBI:36735)
5-oxo-δ-bilirubin (CHEBI:74621) is a dicarboxylic acid (CHEBI:35692)
5-oxo-δ-bilirubin (CHEBI:74621) is conjugate acid of 5-oxo-δ-bilirubin(2−) (CHEBI:74361)
Incoming Relation(s)
5-oxo-δ-bilirubin(2−) (CHEBI:74361) is conjugate base of 5-oxo-δ-bilirubin (CHEBI:74621)
Synonym  Source
10-oxo-δ-bilirubinChEBI
Citations