13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester

Molecular Formula: C35H34MgN4O5+2


InChI: InChI=1/C35H34N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15H,1-2,10-11,16H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-;/f/h37-38,41H;

InChIKey: InChIKey=IOQIILLGNAOXJE-NCIZQVNKDT
SMILES: CC1=C(C2=CC3=[NH+]C(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=[NH+]5)C=C1[N-]2)C)CCC(=O)O)C(=O)CC(=O)OC)C)C(=C3C)C=C)C=C.[Mg+2]

Names:
    CHEBI:15433
    magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester
    13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester
    13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester
    [7,12-diethenyl-18-(3-ethoxy-1,3-dioxopropyl)-3,8,13,17-tetramethylporphyrin-2-propanoato]magnesium(II)

Registries:
    PubChem CID 9548608
    PubChem ID 14717838