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[Methionine synthase]-cob(I)alamin

PropertiesImage
MNX_IDMNXM92064 Image of MNXM92064
referenceseedM:cpd12872
formulaC69H98CoN17O16P*2
global charge2
mol weight 
InChIKey 
InChI 
SMILES[*]NC(=O)[C@H](Cc1c[nH]cn1)NC([*])=O.C/C1=C2/N([Co+])C([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3\[NH+]=C(/C=C4\[NH+]=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O
MNX internals
InChI (mnx)  Image of MNXM92064
SMILES (mnx)[*:1][NH:2][C:3](=[O:4])[C@H:5]([CH2:6][C:7]1=[CH:8][NH:9][CH:10]=[N:11]1)[NH:12][C:13]([*:14])=[O:15].[Co+2:106].[N:16]1=[C:17]2[C:18]([CH3:105])=[C:19]3[NH:20][C:66](=[CH:61][C:54]4=[N:50][C:44](=[C:39]([CH3:43])[C:32]5=[N:27][C@@:23]([CH3:26])([CH:21]1[C@H:22]([CH2:24][C:29]([NH2:36])=[O:37])[C@@:25]2([CH3:30])[CH2:31][CH2:38][C:42](=[O:48])[NH:49][CH2:53][C@@H:60]([CH3:64])[O:65][P:70](=[O:73])([OH:74])[O:75][C@H:81]1[C@@H:83]([OH:86])[C@@H:87]([N:91]2[CH:95]=[N:97][C:99]6=[C:96]2[CH:98]=[C:100]([CH3:103])[C:102]([CH3:104])=[CH:101]6)[O:88][C@@H:84]1[CH2:89][OH:92])[C@@:28]([CH3:34])([CH2:35][C:41]([NH2:46])=[O:47])[C@@H:33]5[CH2:40][CH2:45][C:52]([NH2:58])=[O:59])[C@@:51]([CH3:56])([CH2:57][C:63]([NH2:68])=[O:69])[C@@H:55]4[CH2:62][CH2:67][C:72]([NH2:79])=[O:80])[C:71]([CH3:77])([CH3:78])[C@@H:76]3[CH2:82][CH2:85][C:90]([NH2:93])=[O:94]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd12872
seedM:cpd12872
[Methionine synthase]-cob(I)alamin
[Methionine synthase]-cob(II)alamin

seedM:M_cpd12872
secondary/obsolete/fantasy identifier