CHEBI:142136 - bilirubin IIIα

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ChEBI Name bilirubin IIIα ChEBI ID CHEBI:142136 ChEBI ASCII Name bilirubin IIIalpha Definition A biladiene that is a linear tetrapyrrole and a regioisomer of bilirubin IXα, in which the dipyrroles are of exovinyl type only. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C33H36N4O6 Net Charge 0 Average Mass 584.663 Monoisotopic Mass 584.26348 InChI InChI=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- InChIKey OQNSGJHDCGJNHV-IFADSCNNSA-N SMILES C=1(/C=C/2\NC(=O)C(=C2C)C=C)NC(=C(C1C)CCC(=O)O)CC=3NC(/C=C/4\NC(C(=C4C)C=C)=O)=C(C3CCC(=O)O)C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing bilirubin IIIα (CHEBI:142136) is a biladienes (CHEBI:36735) bilirubin IIIα (CHEBI:142136) is a dicarboxylic acid (CHEBI:35692) IUPAC Names 2,18-diethenyl-3,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid bilirubin IIIα Synonyms Sources 3,7,13,17-tetramethyl-1,19-dioxo-2,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid IUPAC 8,12-bis(2-carboxyethyl)-3,7,13,17-tetramethyl-2,18-divinylbiladiene-ac-1,19(21H,24H)-dione JCBN bilirubin-IIIα IUPAC Citation Type Source 86 PubMed citation Europe PMC Last Modified 10 September 2018