[corrinoid adenosyltranferase]-cob(I)inamide

Properties Image MNX_ID MNXM743831 reference metacycM:CPD-20907 formula C48H72CoN11O8* global charge 0 mol weight   InChIKey   InChI   SMILES [*].CC1=C2N3[C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)O)[C@]2(C)[N+]4=C(C(C)=C5[N+]6=C(C=C7[N+](=C1[C@@H](CCC(N)=O)C7(C)C)[Co-3]364)[C@@H](CCC(N)=O)[C@]5(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O MNX internals InChI (mnx) InChI=1/C48H73N11O8.CH4.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;;/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);1H4;/q;;+1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;;/m1../s1/i;1+1; SMILES (mnx) [13CH4:68].[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].[Co+:69]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0