EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229696 - (4Z,15Z)-mesobilirubin IXα(2−)

ChEBI IDCHEBI:229696
ChEBI Name(4Z,15Z)-mesobilirubin IXα(2−)
Stars
ASCII Name(4Z,15Z)-mesobilirubin IXalpha(2-)
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC33H38N4O6
Net Charge-2
Average Mass586.689
Monoisotopic Mass586.28023
SMILESCCC1=C(C)/C(=C/c2nc(Cc3nc(/C=C4\NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])c(CCC(=O)[O-])c2C)NC1=O
InChIInChI=1S/C33H40N4O6/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/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-13-,27-14-
InChIKeyHVHKMUMXERBUAN-IFADSCNNSA-L
ChEBI Ontology
Outgoing Relation(s)
(4Z,15Z)-mesobilirubin IXα(2−) (CHEBI:229696) is a dicarboxylic acid dianion (CHEBI:28965)
(4Z,15Z)-mesobilirubin IXα(2−) (CHEBI:229696) is a linear tetrapyrrole anion (CHEBI:59252)
(4Z,15Z)-mesobilirubin IXα(2−) (CHEBI:229696) is conjugate base of mesobilirubin IXα (CHEBI:25208)
Incoming Relation(s)
mesobilirubin IXα (CHEBI:25208) is conjugate acid of (4Z,15Z)-mesobilirubin IXα(2−) (CHEBI:229696)
UniProt Name  Source
(4Z,15Z)-mesobilirubin IXαUniProt