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

adenosylcobalamin 5'-phosphate

Properties Image Occurences in reactions MNX_ID MNXM1378412 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C72H99CoN18O20P2 charge -2 mass 1657.569 reference metacycM:ADENOSYLCOBALAMIN-5-P InChIKey ZKESCEDFYCGFMC-UHFFFAOYSA-J InChI InChI=1S/C62H91N13O17P2.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(83)53(41(90-57)27-89-93(84,85)86)92-94(87,88)91-31(3)26-69-49(82)18-19-59(8)37(22-46(66)79)56-62(11)61(10,25-48(68)81)36(14-17-45(65)78)51(74-62)33(5)55-60(9,24-47(67)80)34(12-15-43(63)76)38(71-55)23-42-58(6,7)35(13-16-44(64)77)50(72-42)32(4)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;/h20-21,23,28,31,34-37,41,52-53,56-57,83H,12-19,22,24-27H2,1-11H3,(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 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][c:29]1[cH:20][c:39]2[c:40]([cH:21][c:30]1[CH3:2])[n+:75]([CH:57]1[CH:52]([OH:83])[CH:53]([O:92][P:94](=[O:87])([OH:88])[O:91][CH:31]([CH3:3])[CH2:26][N:69]=[C:49]([CH2:18][CH2:19][C:59]3([CH3:8])[CH:37]([CH2:22][C:46](=[NH:66])[OH:79])[CH:56]4[C:62]5([CH3:11])[C:61]([CH3:10])([CH2:25][C:48](=[NH:68])[OH:81])[CH:36]([CH2:14][CH2:17][C:45](=[NH:65])[OH:78])[C:51](=[C:33]([CH3:5])[C:55]6=[N:71][C:38](=[CH:23][C:42]7=[N:72][C:50](=[C:32]([CH3:4])[C:54]3=[N:73]4)[CH:35]([CH2:13][CH2:16][C:44](=[NH:64])[OH:77])[C:58]7([CH3:6])[CH3:7])[CH:34]([CH2:12][CH2:15][C:43](=[NH:63])[O-:76])[C:60]6([CH3:9])[CH2:24][C:47](=[NH:67])[OH:80])[NH:74]5)[OH:82])[CH:41]([CH2:27][O:89][P:93](=[O:84])([OH:85])[OH:86])[O:90]1)[cH:28][nH:70]2.[Co+2:113]

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Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:ADENOSYLCOBALAMIN-5-P metacycM:ADENOSYLCOBALAMIN-5-P	adenosylcobalamin 5'-phosphate