ferroheme c

Properties Image MNX_ID MNXM737470 reference chebi:60562 formula C34H36FeN4O4S2 global charge 0 mol weight 684.665 InChIKey XSWPXBWSKQRBRZ-IDTMDVKXSA-L InChI InChI=1S/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-; SMILES CC1=C(CCC(=O)O)C2=CC3=[N+]4C(=CC5=C(C)C(C(C)S)=C6C=C7C(C)=C(C(C)S)C8=[N+]7[Fe-2]4(N2C1=C8)N56)C(C)=C3CCC(=O)O MNX internals InChI (mnx) InChI=1/C34H38N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14,19-20H,7-10H2,1-6H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/t19?,20?; SMILES (mnx) [CH3:1][C:15]1=[C:21]([CH2:7][CH2:9][C:31](=[O:39])[OH:40])/[C:27]2=[CH:14]/[C:28]3=[NH+:36]/[C:24](=[CH:12]\[C:29]4=[N:38]/[C:26](=[CH:13]\[C:30]5=[C:33]([CH:19]([CH3:5])[SH:43])[C:17]([CH3:3])=[C:25](/[CH:11]=[C:23]/1[N-:35]2)[NH:37]5)[C:18]([CH3:4])=[C:34]4[CH:20]([CH3:6])[SH:44])[C:16]([CH3:2])=[C:22]3[CH2:8][CH2:10][C:32](=[O:41])[OH:42].[Fe+2:45]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0