Molecule ID: 20849104

IUPAC Name: 3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoate

Description: The molecule is dicarboxylate anion of protoporphyrinogen. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a protoporphyrinogen.

SMILES: C=Cc1c2[nH]c(c1C)Cc1[nH]c(c(CCC(=O)[O-])c1C)Cc1[nH]c(c(C)c1CCC(=O)[O-])Cc1[nH]c(c(C)c1C=C)C2

SELFIES: [C][=C][C][=C][NH1][C][=Branch1][Branch1][=C][Ring1][Branch1][C][C][C][NH1][C][=Branch1][#C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][C][=Ring1][#Branch2][C][C][C][NH1][C][=Branch1][#C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][=Branch1][C][=O][O-1][C][C][NH1][C][=Branch1][#Branch2][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][Ring2][Ring2][#Branch1]

InChI: InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)/p-2

Molecular Properties:
- Polar Surface Area: 143.0 Ų
- LogP: 6.9