Mol:BMCCPPCB0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 113126 0 0 1 0 0 0 0 0999 V2000 -0.9848 -4.6809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7903 -4.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3213 -5.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 -5.7270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5019 -4.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 -4.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2367 -6.0320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2181 -3.8128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 -5.7270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1927 -4.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2351 -4.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 -6.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -6.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3358 -5.8517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 -4.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 -4.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 -6.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 -7.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6671 -5.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1739 -5.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1903 3.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 2.7378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3019 2.4836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7357 2.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3788 3.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0406 1.7180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6079 3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4899 2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 1.4217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 3.5839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1985 1.7180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9346 2.5159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2526 2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6265 1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 0.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3533 1.5977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9267 3.0031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 1.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7837 2.7807 0.0000 Co 0 3 0 0 0 0 0 0 0 0 0 0 -0.8730 3.5867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 3.6130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 1.8599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2472 4.7968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2340 5.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9374 6.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8401 1.2485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3255 0.6878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2401 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5826 -1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 -1.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0855 -1.7510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9778 -1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 0.6730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2767 1.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 4.2218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0748 1.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5245 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2498 2.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0564 3.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 4.2597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3361 4.8001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0458 4.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 3.4817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7759 4.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 1.9783 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3391 5.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 4.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4976 4.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 4.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 5.6922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 4.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 6.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 6.8582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 5.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9293 6.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6346 7.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 7.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0669 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 5.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6847 -1.7859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 -1.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9279 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7331 0.2163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4139 -0.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6538 4.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0562 5.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0614 4.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8742 4.9427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6429 5.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2671 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7803 5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7803 -0.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5796 0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8927 1.8819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6844 -2.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4201 -3.0603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4199 -3.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1518 -2.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1733 -4.3435 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 -3.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7883 -4.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4208 -5.6528 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.4214 -6.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0364 -6.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 18 1 4 0 0 0 13 19 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 10 14 1 4 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 13 15 1 0 0 0 0 2 1 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 5 2 1 0 0 0 0 2 6 1 4 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 11 6 1 4 0 0 0 32 33 1 0 0 0 0 35 37 1 0 0 0 0 24 23 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 27 24 1 0 0 0 0 24 28 1 4 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 33 28 1 0 0 0 0 33 22 1 4 0 0 0 27 39 1 4 0 0 0 75 76 1 0 0 0 0 58 48 1 0 0 0 0 76 77 1 0 0 0 0 48 61 1 0 0 0 0 76 78 2 0 0 0 0 103 60 1 0 0 0 0 73 79 1 0 0 0 0 72 47 1 4 0 0 0 79 80 1 0 0 0 0 45 46 1 0 0 0 0 79 81 2 0 0 0 0 54 55 1 0 0 0 0 46 82 1 0 0 0 0 43 62 1 0 0 0 0 82 83 1 0 0 0 0 62 57 1 0 0 0 0 82 84 2 0 0 0 0 57 47 1 0 0 0 0 72 43 1 0 0 0 0 62 63 2 0 0 0 0 63 61 1 0 0 0 0 58 85 1 0 0 0 0 55 56 1 0 0 0 0 60 64 2 0 0 0 0 64 65 1 0 0 0 0 68 41 1 0 0 0 0 67 86 1 4 0 0 0 44 45 1 4 0 0 0 56 87 1 0 0 0 0 65 66 1 0 0 0 0 56 88 2 0 0 0 0 66 67 1 0 0 0 0 47 89 1 4 0 0 0 67 68 1 0 0 0 0 89 90 1 0 0 0 0 41 65 2 0 0 0 0 90 91 1 0 0 0 0 59 70 1 0 0 0 0 90 92 2 0 0 0 0 48 49 1 4 0 0 0 42 69 2 0 0 0 0 69 44 1 0 0 0 0 44 59 1 0 0 0 0 70 42 1 0 0 0 0 69 71 1 0 0 0 0 71 68 2 0 0 0 0 57 93 1 4 0 0 0 70 72 1 0 0 0 0 49 50 1 0 0 0 0 67 73 1 0 0 0 0 50 51 1 0 0 0 0 66 74 1 4 0 0 0 59 94 1 0 0 0 0 74 75 1 0 0 0 0 59 95 1 4 0 0 0 51 52 2 0 0 0 0 94 96 1 0 0 0 0 61103 2 0 0 0 0 96 97 1 0 0 0 0 51 53 1 0 0 0 0 96 98 2 0 0 0 0 70 99 1 4 0 0 0 57 54 1 0 0 0 0 71100 1 0 0 0 0 60 58 1 0 0 0 0 63101 1 0 0 0 0 58102 1 0 0 0 0 43 40 1 0 0 0 0 42 40 1 0 0 0 0 41 40 1 0 0 0 0 40103 1 0 0 0 0 40 22 1 0 0 0 0 87104 1 0 0 0 0 29 34 1 0 0 0 0 104105 1 0 0 0 0 30 35 2 0 0 0 0 105106 1 0 0 0 0 32 36 1 4 0 0 0 105107 1 4 0 0 0 106108 1 0 0 0 0 34 37 2 0 0 0 0 108 21 1 0 0 0 0 34 38 1 0 0 0 0 108109 1 0 0 0 0 29 31 1 0 0 0 0 108110 2 0 0 0 0 21111 1 0 0 0 0 17 20 1 0 0 0 0 111112 1 0 0 0 0 111 20 1 0 0 0 0 11 17 1 0 0 0 0 111113 2 0 0 0 0 S SKP 7 ID BMCCPPCB0001 NAME [(2R,3S,4R,5R) -5- (2-Amino-6-oxo-3H-purin-9-yl) -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] 1- [3- [(2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R) -2,13,18-tris(2-amino-2-oxoethyl) -7,12,17-tris(3-amino-3-oxopropyl) -3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-24-id-3-yl] propanoylamino] propan-2-yl hydrogen phosphate; (2R,3R,4S,5R) -2- (6-aminopurin-9-yl) -5-methanidyloxolane-3,4-diol; cobalt(3+) FORMULA C68H97CoN21O21P2 EXACTMASS 1664.5975 AVERAGEMASS 1665.5074 SMILES [C@@](C%14=7)(C)([C@H](C(N%148)[C@](N=4%10)(C)[C@@](CC(N)=O)(C)[C@H](CCC(N)=O)C(C(C)=C(N=59)[C@](CC(=O)N)([C@@H](C5C=C(C(C)(C)6)N([Co+1](C[C@@H](O%11)[C@H]([C@@H](O)[C@@H]%11n(c%13)c(c(n%13)%12)ncnc%12N)O)89%10)=C(C(C)7)[C@@H](CCC(N)=O)6)CCC(=O)N)C)4)CC(N)=O)CCC(=O)NC[C@H](OP(O)(=O)OP(OC[C@@H](O1)[C@H]([C@@H](O)[C@H](n(c23)cnc2C(NC(N)=N3)=O)1)O)(O)=O)C KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06510 M END