Ferrocytochrome

Properties Image MNX_ID MNXM5750 reference hmdb:HMDB0012947 formula C33H32FeN4O4 global charge 2 mol weight 604.488 InChIKey LNEIIVOIUZFFJS-BYQKXEAKSA-L InChI InChI=1S/C33H34N4O4.Fe/c1-7-21-18(4)26-13-28-20(6)23(9-11-33(40)41)31(37-28)15-30-22(8-10-32(38)39)19(5)27(36-30)12-24-16(2)17(3)25(34-24)14-29(21)35-26;/h7,12-15H,1,8-11H2,2-6H3,(H4,34,35,36,37,38,39,40,41);/q;+4/p-2/b24-12-,25-14-,26-13-,27-12+,28-13-,29-14-,30-15-,31-15-; SMILES C=CC1=C2C=C3C(C)=C(C)C4=[N+]3[Fe]35N6C(=C4)C(C)=C(CCC(=O)O)C6=CC4=[N+]3C(=CC(=C1C)N25)C(C)=C4CCC(=O)O MNX internals InChI (mnx) InChI=1/C33H34N4O4.Fe/c1-7-21-18(4)26-13-28-20(6)23(9-11-33(40)41)31(37-28)15-30-22(8-10-32(38)39)19(5)27(36-30)12-24-16(2)17(3)25(34-24)14-29(21)35-26;/h7,12-15H,1,8-11H2,2-6H3,(H4,34,35,36,37,38,39,40,41);/q;+4/b24-12-,25-14-,26-13-,27-12-,28-13-,29-14-,30-15-,31-15-; SMILES (mnx) [CH2:1]=[CH:7][C:21]1=[C:18]([CH3:4])[C:26]2=[CH:13]/[C:28]3=[N:37]/[C:31](=[CH:15]\[C:30]4=[C:22]([CH2:8][CH2:10][C:32](=[O:38])[OH:39])[C:19]([CH3:5])=[C:27](/[CH:12]=[C:24]5/[C:16]([CH3:2])=[C:17]([CH3:3])/[C:25](=[CH:14]\[C:29]1=[NH+:35]/2)[N-:34]5)[NH:36]4)[C:23]([CH2:9][CH2:11][C:33](=[O:40])[OH:41])=[C:20]3[CH3:6].[Fe+4:42]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 31 in models (compartimentalized) 12