Mol:BMCCPPCB0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 92103 0 0 1 0 0 0 0 0999 V2000 0.5590 3.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 3.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 3.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 2.6742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 2.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 1.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7114 2.6967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8775 2.6776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7122 1.2315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5270 1.2436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 1.2436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 3.9261 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1075 3.4203 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1231 0.5162 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6264 -0.0017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2434 0.0003 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7739 0.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 3.4024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2735 3.9247 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1531 4.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 -0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 -0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -1.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 -1.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 -2.3359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9112 -2.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4905 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -1.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 -2.2776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9370 -2.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4582 -3.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2187 -3.4156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8757 -2.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8325 0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 0.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2614 0.9527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 -0.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8141 3.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 3.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 4.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9021 4.6513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 5.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 4.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0772 5.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 6.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5617 6.6146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 6.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3857 4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1497 5.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 5.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 4.5476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 3.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0672 -5.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8026 -5.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 -6.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5206 -4.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7035 -4.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4388 -5.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3171 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0412 -4.2110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 -5.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 -6.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1972 1.9586 0.0000 Co 0 1 0 0 0 0 0 0 0 0 0 0 -1.4660 -3.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1596 -6.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0497 -4.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8822 -4.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0160 -4.9994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2681 -5.3860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3260 -4.8068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2629 -3.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 -4.7247 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -4.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7317 -5.6342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9951 -3.9633 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5522 -5.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -5.5319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1972 3.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 2.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6902 4.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 3.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0094 3.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 4.3664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2229 2.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 9 2 2 0 0 0 0 2 3 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 15 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 16 2 1 0 0 0 0 8 17 1 0 0 0 0 17 16 1 0 0 0 0 10 18 1 4 0 0 0 14 19 1 0 0 0 0 18 19 1 0 0 0 0 12 20 1 0 0 0 0 7 21 1 0 0 0 0 20 21 1 0 0 0 0 5 22 1 0 0 0 0 1 23 1 0 0 0 0 22 23 1 0 0 0 0 4 70 1 0 0 0 0 70 9 1 0 0 0 0 70 11 1 0 0 0 0 70 15 1 0 0 0 0 3 24 1 0 0 0 0 13 25 1 0 0 0 0 20 26 1 4 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 19 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 4 0 0 0 18 41 1 4 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 17 45 1 4 0 0 0 17 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 16 50 1 4 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 23 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 22 59 1 4 0 0 0 60 63 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 65 1 0 0 0 0 64 63 1 0 0 0 0 64 65 2 0 0 0 0 65 84 1 0 0 0 0 84 66 1 0 0 0 0 66 67 2 0 0 0 0 67 64 1 0 0 0 0 60 68 1 0 0 0 0 61 69 1 0 0 0 0 67 70 1 0 0 0 0 77 73 1 4 0 0 0 77 76 1 0 0 0 0 74 73 1 4 0 0 0 76 75 1 0 0 0 0 75 74 1 0 0 0 0 74 71 1 0 0 0 0 76 72 1 4 0 0 0 71 78 1 0 0 0 0 83 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 2 0 0 0 0 79 82 1 0 0 0 0 75 83 1 4 0 0 0 77 84 1 0 0 0 0 39 80 1 0 0 0 0 70 85 1 0 0 0 0 8 86 1 4 0 0 0 8 10 1 0 0 0 0 23 87 1 4 0 0 0 59 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 19 92 1 4 0 0 0 S SKP 7 ID BMCCPPCB0013 NAME Cobamide FORMULA C63H91CoN13O14P EXACTMASS 1343.5878 AVERAGEMASS 1344.3828 SMILES C([C@@H](O%10)[C@H]([C@@H](O)9)OP(=O)([O-1])O[C@H](C)CNC(CCC(C(CC(=O)N)4)(C(N38)=C(C(=N71)C(C(C)(C)C(=CC(C6CCC(N)=O)=N([Co+3]758(C)n(c%11%12)cn(c%11cc(c(C)c%12)C)[C@@H]9%10)C(C6(C)CC(N)=O)=C(C)C(=N52)C(C(CC(N)=O)(C)C(C)2C34)CCC(=O)N)1)CCC(=O)N)C)C)=O)O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00210 M END