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

5-methoxy-6-methylbenzimidazolyl cobamide 5'-phosphate

Properties Image Occurences in reactions MNX_ID MNXM1379053 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C72H99CoN18O21P2 charge -2 mass 1673.568 reference seedM:cpd35689 InChIKey BJPVZZGWVLYHJG-CRNCEFDCSA-J InChI InChI=1S/C62H91N13O18P2.C10H12N5O3.Co/c1-29-20-39-38(22-40(29)89-11)70-28-75(39)57-52(83)53(41(91-57)27-90-94(84,85)86)93-95(87,88)92-30(2)26-69-49(82)18-19-59(7)36(21-46(66)79)56-62(10)61(9,25-48(68)81)35(14-17-45(65)78)51(74-62)32(4)55-60(8,24-47(67)80)33(12-15-43(63)76)37(71-55)23-42-58(5,6)34(13-16-44(64)77)50(72-42)31(3)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20,22-23,28,30,33-36,41,52-53,56-57,83H,12-19,21,24-27H2,1-11H3,(H17,63,64,65,66,67,68,69,71,72,73,74,76,77,78,79,80,81,82,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-4/t30-,33-,34-,35-,36+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1 SMILES [CH2:96][C@@H:99]1[C@@H:101]([OH:111])[C@@H:102]([OH:112])[C@H:105]([n:110]2[cH:98][n:109][c:100]3[c:103]([NH2:106])[n:107][cH:97][n:108][c:104]32)[O:113]1.[CH3:1][c:29]1[cH:20][c:39]2[c:38]([cH:22][c:40]1[O:89][CH3:11])[nH:70][cH:28][n+:75]2[C@@H:57]1[C@H:52]([OH:83])[C@H:53]([O:93][P:95](=[O:87])([OH:88])[O:92][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:79])[C@@H:56]3[C@@:62]4([CH3:10])[C@@:61]([CH3:9])([CH2:25][C:48](=[NH:68])[OH:81])[C@H:35]([CH2:14][CH2:17][C:45](=[NH:65])[OH:78])[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:77])[C:58]6([CH3:5])[CH3:6])[C@@H:33]([CH2:12][CH2:15][C:43](=[NH:63])[O-:76])[C@:60]5([CH3:8])[CH2:24][C:47](=[NH:67])[OH:80])[NH:74]4)[OH:82])[C@@H:41]([CH2:27][O:90][P:94](=[O:84])([OH:85])[OH:86])[O:91]1.[Co+2:114]

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Similar chemical compounds in external resources

Identifier	Description
seed.compound:cpd35689 seedM:cpd35689	5-methoxy-6-methylbenzimidazolyl cobamide 5'-phosphate Coalpha-[alpha-(5-methoxy-6-methylbenzimidazolyl)]-Cobeta-adenosylcobamide 5'-phosphate
seedM:M_cpd35689	secondary/obsolete/fantasy identifier