Molecule ID: 126456550

IUPAC Name: 3-[(2Z)-2-[[3-(2-carboxylatoethyl)-4-methyl-5-oxopyrrol-1-ium-2-yl]methylidene]-5-[(Z)-[(5Z)-3-ethenyl-5-[(4-ethenyl-3-methyl-2-oxo-1,3-dihydropyrrol-5-yl)methylidene]-4-methylpyrrol-2-ylidene]methyl]-4-methylpyrrol-3-yl]propanoate

Description: The molecule is a linear tetrapyrrole anion obtained by deprotonation of the two carboxy groups and protonation of the imine nitrogen of biliverdin delta; It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a linear tetrapyrrole anion and a dicarboxylic acid monoanion. It is a conjugate base of a biliverdin delta.

SMILES: C=CC1=C(/C=c2\[nH]/c(=C\C3=N/C(=C\C4=NC(=O)C(C)=C4CCC(=O)O)C(CCC(=O)[O-])=C3C)c(C=C)c2C)N=C(O)C1C

SELFIES: [C][=C][C][=C][Branch2][Branch1][=N][/C][=C][\NH1][/C][=Branch2][Ring2][N][=C][\C][=N][/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-1][=C][Ring2][Ring1][#Branch1][C][C][Branch1][Ring1][C][=C][=C][Ring2][Ring1][S][C][N][=C][Branch1][C][O][C][Ring2][Ring2][Branch2][C]

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

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: 2.8