a Coalpha-[alpha-(5-methoxy-6-methylbenzimidazolyl)]-cobamide

Properties Image MNX_ID MNXM1134232 reference metacycM:Co-a-5-OCH3-6-CH3-BZD-cobamides formula C62H88CoN13O15P* global charge 0 mol weight   InChIKey   InChI   SMILES [*][Co-3]1234N5C6=C(C)C7=[N+]1C(=CC1=[N+]2C(=C(C)C2=[N+]3[C@@](C)([C@H]5[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]3[C@@H](O)[C@H](O[C@@H]3CO)N3C=[N+]4C4=CC(OC)=C(C)C=C43)[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]7CCC(N)=O MNX internals InChI (mnx) InChI=1/C62H90N13O15P.CH3.Co/c1-29-20-39-38(22-40(29)87-11)70-28-75(39)57-52(84)53(41(27-76)88-57)90-91(85,86)89-30(2)26-69-49(83)18-19-59(7)36(21-46(66)80)56-62(10)61(9,25-48(68)82)35(14-17-45(65)79)51(74-62)32(4)55-60(8,24-47(67)81)33(12-15-43(63)77)37(71-55)23-42-58(5,6)34(13-16-44(64)78)50(72-42)31(3)54(59)73-56;;/h20,22-23,28,30,33-36,41,52-53,56-57,76,84H,12-19,21,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/t30-,33-,34-,35-,36+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1/i;1+1; SMILES (mnx) [13CH3:92].[CH3:1][C:29]1=[CH:20][C:39]2=[C:38]([CH:22]=[C:40]1[O:87][CH3:11])[NH:70][CH:28]=[N+:75]2[C@@H:57]1[C@H:52]([OH:84])[C@H:53]([O:90][P:91]([OH:85])(=[O:86])[O:89][C@H:30]([CH3:2])[CH2:26][N:69]=[C:49]([CH2:18][CH2:19][C@:59]2([CH3:7])[C@@H:36]([CH2:21][C:46](=[NH:66])[OH:80])[C@@H:56]3[C@@:62]4([CH3:10])[C@@:61]([CH3:9])([CH2:25][C:48](=[NH:68])[OH:82])[C@H:35]([CH2:14][CH2:17][C:45](=[NH:65])[OH:79])[C:51](=[C:32]([CH3:4])[C:55]5=[N:71][C:37](=[CH:23][C:42]6=[N:72][C:50](=[C:31]([CH3:3])[C:54]2=[N:73]3)[C@@H:34]([CH2:13][CH2:16][C:44](=[NH:64])[OH:78])[C:58]6([CH3:5])[CH3:6])[C@@H:33]([CH2:12][CH2:15][C:43](=[NH:63])[O-:77])[C@:60]5([CH3:8])[CH2:24][C:47](=[NH:67])[OH:81])[NH:74]4)[OH:83])[C@@H:41]([CH2:27][OH:76])[O:88]1.[Co+2:93]

Parent-child relations graph

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