Mg-13(1)-hydroxyprotoporphyrin 13-monomethyl ester

Properties Image MNX_ID MNXM60922 reference chebi:60489 formula C35H33MgN4O5 global charge -1 mol weight 613.977 InChIKey MVCDIAGKFJFPBB-JXBSUKTBSA-L InChI InChI=1S/C35H35N4O5.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;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H2-,36,37,38,39,41,42);/q-1;+2/p-2/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-; SMILES C=CC1=C(C)C2=CC3=[N+]4C(=CC5=C(C(O)CC(=O)OC)C(C)=C6C=C7C(C=C)=C(C)C8=[N+]7[Mg-2]4(N2C1=C8)N65)C(CCC(=O)[O-])=C3C MNX internals InChI (mnx) InChI=1/C35H36N4O5.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;/h8-9,12-15,32,40H,1-2,10-11,16H2,3-7H3,(H3,36,37,38,39,41,42);/q;+2/b24-12-,25-12-,26-13-,27-14?,28-13?,29-14-,30-15?,31-15-;/t32?; SMILES (mnx) [CH2:1]=[CH:8][C:21]1=[C:17]([CH3:3])/[C:24]2=[CH:12]/[C:25]3=[N:38][C:30](=[CH:15][C:31]4=[N:39][C:27](=[CH:14][C:29]5=[C:22]([CH:9]=[CH2:2])[C:18]([CH3:4])=[C:26]([CH:13]=[C:28]1[N-:36]2)[NH2+:37]5)[C:20]([CH3:6])=[C:35]4[CH:32]([CH2:16][C:34](=[O:43])[O:44][CH3:7])[OH:40])[C:23]([CH2:10][CH2:11][C:33](=[O:41])[OH:42])=[C:19]3[CH3:5].[Mg+2:45]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 5