Molecule ID: 126456549

IUPAC Name: 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

Description: The molecule is a linear tetrapyrrole obtained by the enzymic degradation of heme by Pseudomonas aeruginosa heme oxygenase. It is a dicarboxylic acid and a linear tetrapyrrole. It is a conjugate acid of a biliverdin beta(2-).

SMILES: C=CC1=C(C)C(/C=c2\[nH]/c(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C)c(C)c2C=C)=NC1=O

SELFIES: [C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][=N][/C][=C][\NH1][/C][=Branch2][Ring2][N][=C][\C][NH1][C][Branch2][Ring1][=Branch1][/C][=C][\N][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Ring2][Ring1][#Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][#C][C][=C][=N][C][Ring2][Ring2][Branch2][=O]

InChI: InChI=1S/C33H34N4O6/c1-7-20-16(3)24(34-27(20)14-26-17(4)21(8-2)33(43)36-26)13-25-18(5)22(9-11-30(38)39)28(35-25)15-29-23(10-12-31(40)41)19(6)32(42)37-29/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,29-15-

Molecular Properties:
- Polar Surface Area: 161.0 Ų
- LogP: 2.5