CHEBI:142131 - 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one ChEBI ID CHEBI:142131 ChEBI ASCII Name 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one Definition A synthetic dipyrrin derived from rings A and D of bilirubin IXα in which C-9 carries a 2-[2-(ethoxycarbonyl)phenyl]diazenyl substituent. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H26N4O5 Net Charge 0 Average Mass 462.499 Monoisotopic Mass 462.19032 InChI InChI=1S/C25H26N4O5/c1-5-16-15(4)24(32)27-21(16)13-20-14(3)17(11-12-22(30)31)23(26-20)29-28-19-10-8-7-9-18(19)25(33)34-6-2/h5,7-10,13,26H,1,6,11-12H2,2-4H3,(H,27,32)(H,30,31)/b21-13-,29-28? InChIKey UAQQFXVYJQYYLP-KPGQUCGCSA-N SMILES C1(=C(NC(/C(=C/2\NC(C(=C2C=C)C)=O)/[H])=C1C)N=NC=3C=CC=CC3C(=O)OCC)CCC(O)=O ChEBI Ontology Outgoing 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one (CHEBI:142131) is a dipyrrins (CHEBI:36749) 8-(2-carboxyethyl)-2,7-dimethyl-3-vinyl-9-{2-[2-(ethoxycarbonyl)phenyl]diazenyl}dipyrrin-1(10H)-one (CHEBI:142131) 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]-2-{[2-(ethoxycarbonyl)phenyl]diazenyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid Synonyms Sources 3-{5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2-[2-(ethoxycarbonyl)phenyldiazenyl]-1H-pyrrol-3-yl}propionic acid IUPAC ethyl anthranilate azopigment ChEBI Citation Type Source 8605219 PubMed citation Europe PMC Last Modified 25 August 2023