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CHEBI:142132 - 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-[2-(4-sulfophenyl)diazenyl]dipyrrin-1(10H)-one

ChEBI IDCHEBI:142132
ChEBI Name8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-[2-(4-sulfophenyl)diazenyl]dipyrrin-1(10H)-one
Stars
ASCII Name8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-[2-(4-sulfophenyl)diazenyl]dipyrrin-1(10H)-one
DefinitionA synthetic dipyrrin derived from rings A and D of bilirubin IXα in which C-9 carries a 2-(4-sulfophenyl)diazenyl substituent.
Last Modified25 August 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H22N4O6S
Net Charge0
Average Mass470.507
Monoisotopic Mass470.12601
SMILES[H]/C(=C1/NC(=O)C(C)=C1C=C)c1nc(N=Nc2ccc(S(=O)(=O)O)cc2)c(CCC(=O)O)c1C
InChIInChI=1S/C22H22N4O6S/c1-4-16-13(3)22(29)24-19(16)11-18-12(2)17(9-10-20(27)28)21(23-18)26-25-14-5-7-15(8-6-14)33(30,31)32/h4-8,11,23H,1,9-10H2,2-3H3,(H,24,29)(H,27,28)(H,30,31,32)/b19-11-,26-25?
InChIKeyNODMHMPHTUCQFH-WZHQGDFBSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-[2-(4-sulfophenyl)diazenyl]dipyrrin-1(10H)-one (CHEBI:142132) is a dipyrrins (CHEBI:36749)
8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-[2-(4-sulfophenyl)diazenyl]dipyrrin-1(10H)-one (CHEBI:142132) is a monoazo compound (CHEBI:48959)
IUPAC Name 
3-{5-[(Z)-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2-[(4-sulfophenyl)diazenyl]-1H-pyrrol-3-yl}propanoic acid
Synonyms  Source
sulfanilic acid azopigmentChEBI
3-{4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(4-sulfophenyl)diazenyl]-1H-pyrrol-3-yl}propionic acidIUPAC
Citations