ferric;3-[(1Z,4Z,9Z,15Z)-18-(2-carboxyethyl)-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,8,13-trimethyl-7-vinyl-porphyrin-21,23-diid-2-yl]propanoic acid

More details:

• Systematic name

  ferric;3-[(1Z,4Z,9Z,15Z)-18-(2-carboxyethyl)-17-formyl-12-[(4E,8E)-1-hydroxy-5,9,13-trimethyl-tetradeca-4,8,12-trienyl]-3,8,13-trimethyl-7-vinyl-porphyrin-21,23-diid-2-yl]propanoic acid

• SMILES

  Cc1/c/2c/c3n/c(c\c4c(c(c([n-]4)/cc/5\nc(/cc(/c1CCC(=O)O)\[n-]2)C(=C5C=O)CCC(=O)O)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)/C(=C3C=C)C.[Fe+3]

• Std. InChi

  InChI=1S/C49H58N4O6.Fe/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;/h9,13,15,17,23-27,46,55H,1,10-12,14,16,18-22H2,2-8H3,(H4,50,51,52,53,54,56,57,58,59);/q;+3/p-2/b29-15+,30-17+,38-23-,39-25-,40-24-,41-23-,42-26-,43-26-,44-24-,45-25-;

• Std. InChIKey

  HIXFOFPPNIASLP-ONCSLILDSA-L

• Cite this record

  CSID:10140283, http://www.chemspider.com/Chemical-Structure.10140283.html (accessed 08:34, May 23, 2024)