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CHEBI:72719 - 4E,15Z-bilirubin IXa

ChEBI IDCHEBI:72719
ChEBI Name4E,15Z-bilirubin IXa
Stars
ASCII Name4E,15Z-bilirubin IXa
DefinitionA linear tetrapyrrole, product of heme degradation. An isomer of bilirubin.
Last Modified14 March 2013
Submittermwilliams
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-KDUUSRDASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4E,15Z-bilirubin IXa (CHEBI:72719) has role metabolite (CHEBI:25212)
4E,15Z-bilirubin IXa (CHEBI:72719) is a biladienes (CHEBI:36735)
4E,15Z-bilirubin IXa (CHEBI:72719) is a dicarboxylic acid (CHEBI:35692)
Synonym  Source
(4E)2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo--21H-Biline-8,12-dipropanoic acidHMDB
Manual XrefsDatabases
HMDB0000488HMDB
Registry NumbersSources
Reaxys:1236110Reaxys
Citations