a [methyl-(Co(III) tetramethylammonium-specific corrinoid protein]

Properties Image MNX_ID MNXM12256 reference metacycM:Methylated-MtqC-Proteins formula C55H82CoN14O9*2 global charge 1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CC1=CNC=[N+]1[Co-3]123(C)N4C5=C(C)C6=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]4[C@H](CC(N)=O)[C@@]5(C)CCC(=O)NC[C@@H](C)O)[C@@](C)(CC(N)=O)[C@@H]2CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]1CCC(N)=O)C(C)(C)[C@@H]6CCC(N)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C48H73N11O8.C8H13N3O.CH3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-6(12)8(9-2)3-7-4-10-5-11-7;;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);4-5,8-9H,3H2,1-2H3,(H,10,11);1H3;/q;;;+2/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;8-;;/m10../s1/i;1+1,2+1;; SMILES (mnx) [13CH3:68][C:73]([C@H:75]([CH2:70][C:74]1=[CH:71][N:77]=[CH:72][NH:78]1)[NH:76][13CH3:69])=[O:79].[CH3:1][C@H:23]([CH2:22][N:55]=[C:38]([CH2:16][CH2:17][C@:45]1([CH3:6])[C@@H:29]([CH2:18][C:35](=[NH:52])[OH:64])[C@@H:43]2[C@@:48]3([CH3:9])[C@@:47]([CH3:8])([CH2:21][C:37](=[NH:54])[OH:66])[C@H:28]([CH2:12][CH2:15][C:34](=[NH:51])[OH:63])[C:40](=[C:25]([CH3:3])[C:42]4=[N:56][C:30](=[CH:19][C:31]5=[N:57][C:39](=[C:24]([CH3:2])[C:41]1=[N:58]2)[C@@H:27]([CH2:11][CH2:14][C:33](=[NH2+:50])[OH:62])[C:44]5([CH3:4])[CH3:5])[C@@H:26]([CH2:10][CH2:13][C:32]([NH-:49])=[O:61])[C@:46]4([CH3:7])[CH2:20][C:36](=[NH:53])[OH:65])[NH:59]3)[OH:67])[OH:60].[CH3:80].[Co+2:81]

Parent-child relations graph

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