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Coalpha-[alpha-(2-methyladenin-9-yl)]-Cobeta-adenosylcobamide 5'-phosphate

Properties Image Occurences in reactions MNX_ID MNXM1379070 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C69H96CoN21O20P2 charge -2 mass 1660.533 reference metacycM:CPD-20852 InChIKey GNDYJBQEJDFKNL-UHFFFAOYSA-J InChI InChI=1S/C59H88N16O17P2.C10H12N5O3.Co/c1-26(91-94(87,88)92-48-35(24-89-93(84,85)86)90-54(47(48)83)75-25-68-53-46(75)52(66)69-29(4)70-53)23-67-43(82)17-18-56(7)33(19-40(63)79)51-59(10)58(9,22-42(65)81)32(13-16-39(62)78)45(74-59)28(3)50-57(8,21-41(64)80)30(11-14-37(60)76)34(71-50)20-36-55(5,6)31(12-15-38(61)77)44(72-36)27(2)49(56)73-51;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20,25-26,30-33,35,47-48,51,54,83H,11-19,21-24H2,1-10H3,(H19,60,61,62,63,64,65,66,67,69,70,71,72,73,74,76,77,78,79,80,81,82,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-4 SMILES [CH2:95][CH:98]1[CH:100]([OH:110])[CH:101]([OH:111])[CH:104]([n:109]2[cH:97][n:108][c:99]3[c:102]([NH2:105])[n:106][cH:96][n:107][c:103]32)[O:112]1.[CH3:1][CH:26]([CH2:23][N:67]=[C:43]([CH2:17][CH2:18][C:56]1([CH3:7])[CH:33]([CH2:19][C:40](=[NH:63])[OH:79])[CH:51]2[C:59]3([CH3:10])[C:58]([CH3:9])([CH2:22][C:42](=[NH:65])[OH:81])[CH:32]([CH2:13][CH2:16][C:39](=[NH:62])[OH:78])[C:45](=[C:28]([CH3:3])[C:50]4=[N:71][C:34](=[CH:20][C:36]5=[N:72][C:44](=[C:27]([CH3:2])[C:49]1=[N:73]2)[CH:31]([CH2:12][CH2:15][C:38](=[NH:61])[OH:77])[C:55]5([CH3:5])[CH3:6])[CH:30]([CH2:11][CH2:14][C:37](=[NH:60])[O-:76])[C:57]4([CH3:8])[CH2:21][C:41](=[NH:64])[OH:80])[NH:74]3)[OH:82])[O:91][P:94](=[O:87])([OH:88])[O:92][CH:48]1[CH:35]([CH2:24][O:89][P:93](=[O:84])([OH:85])[OH:86])[O:90][CH:54]([n+:75]2[cH:25][nH:68][c:53]3[c:46]2[c:52]([NH2:66])[n:69][c:29]([CH3:4])[n:70]3)[CH:47]1[OH:83].[Co+2:113]

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Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:CPD-20852 metacycM:CPD-20852	Coalpha-[alpha-(2-methyladenin-9-yl)]-Cobeta-adenosylcobamide 5'-phosphate