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CHEBI:228295 - bilirubin IXβ(2−)

ChEBI IDCHEBI:228295
ChEBI Namebilirubin IXβ(2−)
Stars
ASCII Namebilirubin IXbeta(2-)
Definitionmajor species at pH 7.3
SubmitterKristian Axelsen
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)=C4CCC(=O)[O-])c(CCC(=O)[O-])c3C)c(C)c2C=C)NC1=O
InChIInChI=1S/C33H36N4O6/c1-7-20-16(3)24(34-27(20)14-26-17(4)21(8-2)33(43)36-26)13-25-18(5)22(9-11-30(38)39)28(35-25)15-29-23(10-12-31(40)41)19(6)32(42)37-29/h7-8,14-15,34-35H,1-2,9-13H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-14-,29-15-
InChIKeyMNGDAXJRPWAIKA-WDGYLHENSA-L
Roles Classification
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
bilirubin IXβ(2−) (CHEBI:228295) is a linear tetrapyrrole anion (CHEBI:59252)
bilirubin IXβ(2−) (CHEBI:228295) is a procion yellow MX-4R (CHEBI:58965)
UniProt Name  Source
bilirubin IXβUniProt
Manual XrefsDatabases
CPD-19722MetaCyc
Citations