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CHEBI:36748 - mesobiliverdin

ChEBI IDCHEBI:36748
ChEBI Namemesobiliverdin
Stars
DefinitionA bilin that consists of 3,18-diethyl-2,7,13,17-tetramethyl-1,19,22,24-tetrahydro-21H-biline-8,12-dipropanoic acid bearing two oxo substituents at positions 1 and 19.
Secondary ChEBI IDsCHEBI:25209, CHEBI:25210
Last Modified17 April 2012
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC33H38N4O6
Net Charge0
Average Mass586.689
Monoisotopic Mass586.27913
SMILESCCC1=C(C)/C(=C/C2=N/C(=C\c3nc(/C=C4\NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O
InChIInChI=1S/C33H38N4O6/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/h13-15,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-
InChIKeyCXQHEXWJGZEPFP-BBROENKCSA-N
ChEBI Ontology
Outgoing Relation(s)
mesobiliverdin (CHEBI:36748) is a bilins (CHEBI:22869)
mesobiliverdin (CHEBI:36748) is conjugate acid of mesobiliverdin(2−) (CHEBI:189061)
Incoming Relation(s)
mesobiliverdin(2−) (CHEBI:189061) is conjugate base of mesobiliverdin (CHEBI:36748)
IUPAC Name 
3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,19,22,24-tetrahydro-21H-biline-8,12-dipropanoic acid
Synonyms  Source
3,18-diethyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acidChemIDplus
8,12-bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilin-1,19(21H,24H)-dioneJCBN
mesobiliverdin IXChemIDplus
mesobiliverdin IXαChEBI
Registry NumbersSources
Beilstein:75100Beilstein
Beilstein:3823061Beilstein
Reaxys:75100Reaxys
CAS:493-88-9ChemIDplus
Citations