Molecule ID: 135533978

IUPAC Name: 3-[(17Z)-18-(2-carboxyethyl)-7-ethenyl-17-(hydroxymethylidene)-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,8,13-trimethyl-22H-porphyrin-2-yl]propanoic acid

Description: The molecule is a cyclic tetrapyrrole that consists of porphyrin bearing several substituents including methyl, vinyl, formyl, hydroxy and hydroxyalkatrienyl. The parent of the class of cytoporphyrins. It is a conjugate acid of a cytoporphyrinate.

SMILES: C=Cc1c(C)c2[nH]c1=CC1=NC(=CC3=C(CCC(=O)O)/C(=C/O)C(=N3)C=C3N=C(C=2)C(C(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C3C)C(CCC(=O)O)=C1C

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

InChI: InChI=1S/C49H58N4O6/c1-9-34-31(6)39-25-45-49(46(55)18-12-17-30(5)16-11-15-29(4)14-10-13-28(2)3)33(8)40(52-45)24-44-37(27-54)36(20-22-48(58)59)43(53-44)26-42-35(19-21-47(56)57)32(7)38(51-42)23-41(34)50-39/h9,13,15,17,23-27,46,50,54-55H,1,10-12,14,16,18-22H2,2-8H3,(H,56,57)(H,58,59)/b29-15+,30-17+,37-27-,39-25?,40-24?,41-23?,42-26?

Molecular Properties:
- Polar Surface Area: 164.0 Ų
- LogP: 5.8