EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142136 - bilirubin IIIα

ChEBI IDCHEBI:142136
ChEBI Namebilirubin IIIα
Stars
ASCII Namebilirubin IIIalpha
DefinitionA biladiene that is a linear tetrapyrrole and a regioisomer of bilirubin IXα, in which the dipyrroles are of exovinyl type only.
Last Modified10 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H36N4O6
Net Charge0
Average Mass584.673
Monoisotopic Mass584.26348
SMILESC=CC1=C(C)/C(=C/c2nc(Cc3nc(/C=C4\NC(=O)C(C=C)=C4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
InChIInChI=1S/C33H36N4O6/c1-7-20-16(3)26(36-32(20)42)13-24-18(5)22(9-11-30(38)39)28(34-24)15-29-23(10-12-31(40)41)19(6)25(35-29)14-27-17(4)21(8-2)33(43)37-27/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b26-13-,27-14-
InChIKeyOQNSGJHDCGJNHV-IFADSCNNSA-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)
bilirubin IIIα (CHEBI:142136) is a biladienes (CHEBI:36735)
bilirubin IIIα (CHEBI:142136) is a dicarboxylic acid (CHEBI:35692)
IUPAC Names 
bilirubin IIIα
2,18-diethenyl-3,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid
Synonyms  Source
bilirubin-IIIαIUPAC
8,12-bis(2-carboxyethyl)-3,7,13,17-tetramethyl-2,18-divinylbiladiene-ac-1,19(21H,24H)-dioneJCBN
3,7,13,17-tetramethyl-1,19-dioxo-2,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acidIUPAC
Citations