Molecule ID: 46931104

IUPAC Name: 3-[5-[[3-(2-carboxylatoethyl)-5-[[3-(2-carboxylatoethyl)-5-[[3-(2-carboxylatoethyl)-4-(carboxylatomethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoate

Description: The molecule is octaanion of preuroporphyrinogen arising from global deprotonation of the eight carboxy groups; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a preuroporphyrinogen.

SMILES: O=C([O-])CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)[O-])c4CCC(=O)[O-])c(CC(=O)[O-])c3CCC(=O)[O-])c(CC(=O)[O-])c2CCC(=O)[O-])c1CC(=O)[O-]

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

InChI: InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-8

Molecular Properties:
- Polar Surface Area: 404.0 Ų
- LogP: 4.3