**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

cob(II)alamin-[CblC-CblD complex]

Properties Image MNX_ID MNXM743834 reference metacycM:CPD-20918 formula C62H88CoN13O14P*2 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)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n4cnc5cc(C)c(C)cc54)O[C@@H]2CO)[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-2]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/C62H90N13O14P.2CH4.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;;/h20-21,23,28,31,34-37,41,52-53,56-57,73,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);2*1H4;/q;;;+1/b42-23?,54-32?,55-33?;;;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;/m1.../s1/i;2*1+1; SMILES (mnx) [13CH4:91].[CH3:1][c:29]1[cH:20][c:39]2[c:40]([cH:21][c:30]1[CH3:2])[n:75]([C@@H:57]1[C@H:52]([OH:84])[C@H:53]([O:89][P:90](=[O:85])([OH:86])[O:88][C@H:31]([CH3:3])[CH2:26][NH:69][C:49]([CH2:18][CH2:19][C@:59]3([CH3:8])[C@@H:37]([CH2:22][C:46]([NH2:66])=[O:80])[C@@H:56]4[C@@:62]5([CH3:11])[C@@:61]([CH3:10])([CH2:25][C:48]([NH2:68])=[O:82])[C@H:36]([CH2:14][CH2:17][C:45]([NH2:65])=[O:79])[C:51](=[N:74]5)[C:33]([CH3:5])=[C:55]5[C@@:60]([CH3:9])([CH2:24][C:47]([NH2:67])=[O:81])[C@H:34]([CH2:12][CH2:15][C:43]([NH2:63])=[O:77])[C:38](=[N:71]5)[CH:23]=[C:42]5[C:58]([CH3:6])([CH3:7])[C@H:35]([CH2:13][CH2:16][C:44]([NH2:64])=[O:78])[C:50](=[N:72]5)[C:32]([CH3:4])=[C:54]3[NH:73]4)=[O:83])[C@@H:41]([CH2:27][OH:76])[O:87]1)[cH:28][n:70]2.[H][13C:92]([H])([H])[Co+:93].[H][H]([H])([H])[H]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CPD-20918 metacycM:CPD-20918	cob(II)alamin-[CblC-CblD complex]