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CHEBI:142137 - bilirubin XIIIα

ChEBI IDCHEBI:142137
ChEBI Namebilirubin XIIIα
Stars
ASCII Namebilirubin XIIIalpha
DefinitionA biladiene that is a linear tetrapyrrole and a regioisomer of bilirubin IXα, in which the dipyrroles are of endovinyl type only.
Last Modified10 September 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H36N4O6
Net Charge0
Average Mass584.673
Monoisotopic Mass584.26348
SMILESC=CC1=C(C)C(=O)N/C1=C\c1nc(Cc2nc(/C=C3\NC(=O)C(C)=C3C=C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C
InChIInChI=1S/C33H36N4O6/c1-7-20-18(5)32(42)36-26(20)13-24-16(3)22(9-11-30(38)39)28(34-24)15-29-23(10-12-31(40)41)17(4)25(35-29)14-27-21(8-2)19(6)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-
InChIKeySJDJRWBCNPRKRW-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 XIIIα (CHEBI:142137) is a biladienes (CHEBI:36735)
bilirubin XIIIα (CHEBI:142137) is a dicarboxylic acid (CHEBI:35692)
IUPAC Names 
bilirubin XIIIα
3,17-diethenyl-2,7,13,18-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid
Synonyms  Source
bilirubin-XIIIαChEBI
2,7,13,18-tetramethyl-1,19-dioxo-3,17-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acidIUPAC
bilirubin-IIIαIUPAC
8,12-bis(2-carboxyethyl)-2,7,13,18-tetramethyl-3,17-divinylbiladiene-ac-1,19(21H,24H)-dioneJCBN
Citations