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

4-methylphenyl adenosylcobamide 5'-phosphate

Properties Image Occurences in reactions MNX_ID MNXM1379049 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C70H97CoN16O21P2 charge -2 mass 1619.516 reference seedM:cpd34381 InChIKey ZBIGZOFOTYFABP-WQIXFEILSA-J InChI InChI=1S/C60H89N11O18P2.C10H12N5O3.Co/c1-29-11-13-33(14-12-29)86-55-50(79)51(39(87-55)28-85-90(80,81)82)89-91(83,84)88-30(2)27-67-47(78)21-22-57(7)37(23-44(64)75)54-60(10)59(9,26-46(66)77)36(17-20-43(63)74)49(71-60)32(4)53-58(8,25-45(65)76)34(15-18-41(61)72)38(68-53)24-40-56(5,6)35(16-19-42(62)73)48(69-40)31(3)52(57)70-54;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h11-14,24,30,34-37,39,50-51,54-55,79H,15-23,25-28H2,1-10H3,(H17,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,80,81,82,83,84);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-4/t30-,34-,35-,36-,37+,39-,50-,51-,54-,55+,57-,58+,59+,60+;4-,6-,7-,10-;/m11./s1 SMILES [CH2:92][C@@H:95]1[C@@H:97]([OH:107])[C@@H:98]([OH:108])[C@H:101]([n:106]2[cH:94][n:105][c:96]3[c:99]([NH2:102])[n:103][cH:93][n:104][c:100]32)[O:109]1.[CH3:1][c:29]1[cH:11][cH:13][c:33]([O:86][C@@H:55]2[C@H:50]([OH:79])[C@H:51]([O:89][P:91](=[O:83])([OH:84])[O:88][C@H:30]([CH3:2])[CH2:27][N:67]=[C:47]([CH2:21][CH2:22][C@:57]3([CH3:7])[C@@H:37]([CH2:23][C:44](=[NH:64])[OH:75])[C@@H:54]4[C@@:60]5([CH3:10])[C@@:59]([CH3:9])([CH2:26][C:46](=[NH:66])[OH:77])[C@H:36]([CH2:17][CH2:20][C:43](=[NH:63])[OH:74])[C:49](=[C:32]([CH3:4])[C:53]6=[N:68][C:38](=[CH:24][C:40]7=[N:69][C:48](=[C:31]([CH3:3])[C:52]3=[N:70]4)[C@@H:35]([CH2:16][CH2:19][C:42](=[NH2+:62])[OH:73])[C:56]7([CH3:5])[CH3:6])[C@@H:34]([CH2:15][CH2:18][C:41]([NH-:61])=[O:72])[C@:58]6([CH3:8])[CH2:25][C:45](=[NH:65])[OH:76])[NH:71]5)[OH:78])[C@@H:39]([CH2:28][O:85][P:90](=[O:80])([OH:81])[OH:82])[O:87]2)[cH:14][cH:12]1.[Co+2:110]

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
seed.compound:cpd34381 seedM:cpd34381	4-methylphenyl adenosylcobamide 5'-phosphate 4-methylphenyl-Cobeta-adenosylcobamide 5'-phosphate p-cresolyl adenosylcobamide 5'-phosphate
seedM:M_cpd34381	secondary/obsolete/fantasy identifier