(3Z)-Phytochromobilin

Molecular Formula: C33H36N4O6


InChI: InChI=1/C33H36N4O6/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/h7-8,13-15,19,34-35H,2,9-12H2,1,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b20-7-,24-13-,27-14-,28-15-/f/h37-38,40H

InChIKey: InChIKey=LXWZWRRIEITWMN-UPYBNLBYDU
SMILES: CC=C1C(C(=O)NC1=CC2=C(C(=C(N2)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)C=C)N3)C)CCC(=O)O)CCC(=O)O)C)C

Names:
    CHEBI:15619
    (3Z)-Phytochromobilin
    (3Z)-8,12-bis(2-carboxyethyl)-18-ethenyl-3-ethylidene-2,7,13,17-tetramethyl-2,3-dihydrobiline-1,19(21H,24H)-dione
    3-[2-[(Z)-[(5Z)-3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-yl)methylidene]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-[(3Z)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

Registries:
    PubChem CID 5460415
    PubChem ID 8145795