an oxyhemoglobin

Properties Image MNX_ID MNXM12556 reference metacycM:Oxyhemoglobins formula C40H37FeN7O7*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CC1=CNC=[N+]1[Fe-2]123(O[O])N4C5=CC6=[N+]1C(=CC1=C(C=C)C(C)=C(C=C7C(C)=C(CCC(=O)[O-])C(=[N+]72)C=C4C(CCC(=O)[O-])=C5C)N13)C(C)=C6C=C)C([*])=O MNX internals InChI (mnx) InChI=1/C34H34N4O4.C8H13N3O.Fe.HO2/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;1-6(12)8(9-2)3-7-4-10-5-11-7;;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);4-5,8-9H,3H2,1-2H3,(H,10,11);;1H/q;;+4;/b25-13-,26-13-,27-14-,28-15?,29-14?,30-15-,31-16?,32-16-;;;/t;8-;;/m.0../s1/i;1+1,2+1;; SMILES (mnx) [13CH3:43][C:48]([C@H:50]([CH2:45][C:49]1=[CH:46][N:52]=[CH:47][NH:53]1)[NH:51][13CH3:44])=[O:54].[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].[Fe+4:55].[OH:56][O:57]

Parent-child relations graph

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