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CHEBI:25208 - mesobilirubin IXα

ChEBI IDCHEBI:25208
ChEBI Namemesobilirubin IXα
Stars
ASCII Namemesobilirubin IXalpha
DefinitionA biladiene that is a homologue of bilirubin IXα (vinyl groups reduced to ethyl), a natural product of heme catabolism and the primary pigment of bile acid.
Last Modified10 September 2018
DownloadsMolfile
FormulaC33H40N4O6
Net Charge0
Average Mass588.705
Monoisotopic Mass588.29478
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)/b26-13-,27-14-
InChIKeyHVHKMUMXERBUAN-IFADSCNNSA-N
ChEBI Ontology
Outgoing Relation(s)
mesobilirubin IXα (CHEBI:25208) is a biladienes (CHEBI:36735)
mesobilirubin IXα (CHEBI:25208) is conjugate acid of (4Z,15Z)-mesobilirubin IXα(2−) (CHEBI:229696)
Incoming Relation(s)
(4Z,15Z)-mesobilirubin IXα(2−) (CHEBI:229696) is conjugate base of mesobilirubin IXα (CHEBI:25208)
IUPAC Name 
2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid
Synonyms  Source
mesobilirubin-IXαChEBI
mesobilirubinJCBN
Registry NumbersSources
Beilstein:75112Beilstein
CAS:16568-56-2ChemIDplus
Citations