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CHEBI:57977 - bilirubin(2−)

ChEBI IDCHEBI:57977
ChEBI Namebilirubin(2−)
Stars
ASCII Namebilirubin(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of the two carboxy groups of bilirubin; major species at pH 7.3.
Last Modified6 March 2024
DownloadsMolfile
FormulaC33H34N4O6
Net Charge-2
Average Mass582.657
Monoisotopic Mass582.24893
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)/p-2/b26-13-,27-14-
InChIKeyBPYKTIZUTYGOLE-IFADSCNNSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
bilirubin(2−) (CHEBI:57977) has role human metabolite (CHEBI:77746)
bilirubin(2−) (CHEBI:57977) is a dicarboxylic acid dianion (CHEBI:28965)
bilirubin(2−) (CHEBI:57977) is a linear tetrapyrrole anion (CHEBI:59252)
bilirubin(2−) (CHEBI:57977) is conjugate base of bilirubin IXα (CHEBI:16990)
Incoming Relation(s)
bilirubin IXα (CHEBI:16990) is conjugate acid of bilirubin(2−) (CHEBI:57977)
Synonyms  Source
2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoateChEBI
bilirubin dianionChEBI
UniProt Name  Source
(4Z,15Z)-bilirubin IXαUniProt
Registry NumbersSources
Beilstein:4083310Beilstein