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CHEBI:142128 - 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-(phenyldiazenyl)dipyrrin-1(10H)-one

ChEBI IDCHEBI:142128
ChEBI Name8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-(phenyldiazenyl)dipyrrin-1(10H)-one
Stars
ASCII Name8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-(phenyldiazenyl)dipyrrin-1(10H)-one
DefinitionA synthetic dipyrrin derived from rings A and D of bilirubin IXα in which C-9 carries a phenyldiazenyl substituent.
Last Modified25 August 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H22N4O3
Net Charge0
Average Mass390.443
Monoisotopic Mass390.16919
SMILES[H]/C(=C1/NC(=O)C(C)=C1C=C)c1nc(N=Nc2ccccc2)c(CCC(=O)O)c1C
InChIInChI=1S/C22H22N4O3/c1-4-16-14(3)22(29)24-19(16)12-18-13(2)17(10-11-20(27)28)21(23-18)26-25-15-8-6-5-7-9-15/h4-9,12,23H,1,10-11H2,2-3H3,(H,24,29)(H,27,28)/b19-12-,26-25?
InChIKeyVBCOZUHFCDYULE-JOCACMRDSA-N
ChEBI Ontology
Outgoing Relation(s)
8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-(phenyldiazenyl)dipyrrin-1(10H)-one (CHEBI:142128) is a dipyrrins (CHEBI:36749)
8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-(phenyldiazenyl)dipyrrin-1(10H)-one (CHEBI:142128) is a monoazo compound (CHEBI:48959)
8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-(phenyldiazenyl)dipyrrin-1(10H)-one (CHEBI:142128) is tautomer of 3-[(2E)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-(phenylhydrazono)-2H-pyrrol-3-yl]propanoic acid (CHEBI:142134)
Incoming Relation(s)
3-[(2E)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-(phenylhydrazono)-2H-pyrrol-3-yl]propanoic acid (CHEBI:142134) is tautomer of 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-(phenyldiazenyl)dipyrrin-1(10H)-one (CHEBI:142128)
IUPAC Name 
3-{5-[(Z)-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2-(phenyldiazenyl)-1H-pyrrol-3-yl}propanoic acid
Synonyms  Source
3-{5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2-(phenyldiazenyl)-1H-pyrrol-3-yl}propionic acidIUPAC
aniline azopigmentChEBI
aniline azopigment (azobenzene form)ChEBI
Citations