magnesium protoporphyrin

Properties Image MNX_ID MNXM732748 reference chebi:15431 formula C34H32MgN4O4 global charge 0 mol weight 584.959 InChIKey REJJDEGSUOCEEW-RGGAHWMASA-L InChI InChI=1S/C34H34N4O4.Mg/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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; SMILES C=CC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)=C(CCC(=O)O)C6=[N+]5[Mg-2]5(N7C(=CC1=[N+]25)C(C)=C(CCC(=O)O)C7=C6)N43 MNX internals InChI (mnx) InChI=1/C34H34N4O4.Mg/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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/b25-13-,26-13-,27-14-,28-15?,29-14?,30-15-,31-16?,32-16-; SMILES (mnx) [CH2:1]=[CH:7][C:21]1=[C:17]([CH3:3])/[C:25]2=[CH:13]/[C:26]3=[N:37][C:31](=[CH:16][C:32]4=[N:38][C:28](=[CH:15][C:30]5=[C:22]([CH:8]=[CH2:2])[C:18]([CH3:4])=[C:27]([CH:14]=[C:29]1[N-:35]2)[NH2+:36]5)[C:20]([CH3:6])=[C:24]4[CH2:10][CH2:12][C:34](=[O:41])[OH:42])[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]3[CH3:5].[Mg+2:43]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 2