Mol:BMCCPPCB0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
86 96 0 0 1 0 0 0 0 0999 V2000
6.4508 2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0954 4.6165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5021 3.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5954 5.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1172 4.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0022 2.8370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9262 6.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5735 5.6905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0127 5.8190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6714 2.0939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5849 2.5006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2352 7.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8825 6.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2134 7.3847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5661 7.9199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 1.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7012 0.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 -0.7852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0412 0.4271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0412 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6840 1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3271 -2.0136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4451 -0.1420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6361 -0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 -0.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6209 -3.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8285 -3.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9604 -4.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4890 -2.1252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4451 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9296 -0.4111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1238 0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1238 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1238 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3352 -1.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3352 1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1238 1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3444 2.4709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0580 2.4709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2785 1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0980 -0.5639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.0672 1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4800 -1.1820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.0580 3.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7566 3.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1633 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5755 5.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5810 4.8979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9240 3.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7901 3.4709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6499 1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4159 2.0947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1361 1.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0091 2.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1680 -5.3275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0165 -2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7339 -3.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -3.9320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5870 -2.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9208 -0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1104 -1.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3022 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6923 -2.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9660 -1.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8864 2.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6281 -1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4451 0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7012 0.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2999 -6.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5075 -6.9287 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.6395 -7.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4802 3.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7204 1.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7012 0.2148 0.0000 Co 0 3 0 0 0 0 0 0 0 0 0 0
3.0181 -1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9823 5.9160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9240 4.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3570 0.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8849 -5.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4233 -4.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2934 -1.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5830 -6.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
7 9 1 0 0 0 0
10 11 1 0 0 0 0
13 14 1 0 0 0 0
3 2 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
6 3 1 0 0 0 0
3 75 1 6 0 0 0
4 7 2 0 0 0 0
4 8 1 0 0 0 0
5 9 2 0 0 0 0
6 10 1 0 0 0 0
11 75 1 6 0 0 0
11 1 1 0 0 0 0
6 77 1 1 0 0 0
49 50 1 0 0 0 0
32 23 1 0 0 0 0
50 51 1 0 0 0 0
23 35 1 0 0 0 0
50 80 2 0 0 0 0
71 34 1 0 0 0 0
47 52 1 0 0 0 0
46 22 1 4 0 0 0
52 53 1 0 0 0 0
20 21 1 0 0 0 0
52 81 2 0 0 0 0
28 29 1 0 0 0 0
21 54 1 0 0 0 0
18 36 1 0 0 0 0
54 55 1 0 0 0 0
31 36 1 1 0 0 0
54 82 2 0 0 0 0
31 22 1 0 0 0 0
46 18 1 0 0 0 0
36 37 2 0 0 0 0
37 35 1 0 0 0 0
32 56 1 0 0 0 0
29 30 1 0 0 0 0
34 38 2 0 0 0 0
38 39 1 0 0 0 0
42 16 1 0 0 0 0
41 57 1 1 0 0 0
19 20 1 1 0 0 0
30 58 1 0 0 0 0
39 40 1 0 0 0 0
30 83 2 0 0 0 0
40 41 1 0 0 0 0
22 59 1 6 0 0 0
41 42 1 0 0 0 0
59 60 1 0 0 0 0
16 39 2 0 0 0 0
60 61 1 0 0 0 0
33 44 1 0 0 0 0
60 84 2 0 0 0 0
23 24 1 1 0 0 0
17 43 2 0 0 0 0
43 19 1 0 0 0 0
19 33 1 0 0 0 0
44 17 1 0 0 0 0
43 45 1 0 0 0 0
45 42 2 0 0 0 0
31 62 1 6 0 0 0
44 46 1 6 0 0 0
24 25 1 0 0 0 0
41 47 1 6 0 0 0
25 26 1 0 0 0 0
40 48 1 1 0 0 0
33 63 1 6 0 0 0
48 49 1 0 0 0 0
33 64 1 1 0 0 0
26 79 2 0 0 0 0
63 65 1 0 0 0 0
35 71 2 0 0 0 0
65 66 1 0 0 0 0
26 27 1 0 0 0 0
65 85 2 0 0 0 0
44 67 1 1 0 0 0
31 28 1 0 0 0 0
45 68 1 0 0 0 0
34 32 1 0 0 0 0
37 69 1 0 0 0 0
32 70 1 0 0 0 0
18 78 1 0 0 0 0
17 78 1 0 0 0 0
16 78 1 0 0 0 0
78 71 1 0 0 0 0
78 1 1 0 0 0 0
58 72 1 0 0 0 0
7 12 1 0 0 0 0
72 73 1 0 0 0 0
8 13 2 0 0 0 0
73 86 1 0 0 0 0
10 76 1 1 0 0 0
73 74 1 4 0 0 0
S SKP 7
ID BMCCPPCB0003
NAME (2R,3R,4S,5R) -2- (6-Aminopurin-9-yl) -5-methanidyloxolane-3,4-diol; cobalt(3+) ; 3- [(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R) -2,7,18-tris(2-amino-2-oxoethyl) -8,13-bis(3-amino-3-oxopropyl) -17- [3- (2-hydroxypropylamino) -3-oxopropyl] -1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-id-3-yl] propanamide
FORMULA C58H84CoN16O11
EXACTMASS 1239.5837
AVERAGEMASS 1240.3219
SMILES c(N)(n%11)c(c(nc%11)1)ncn1[C@H](O2)[C@@H]([C@@H]([C@H]2C[Co+1](N7=6)(N54)(N9=8)N(=C3%10)[C@](C([C@@H]([C@](C5=C(C)C([C@@H](CCC(N)=O)C(C7=CC8[C@H]([C@](C)(C9=C(C)%10)CC(N)=O)CCC(N)=O)(C)C)6)(C)CCC(=O)NCC(O)C)CC(N)=O)4)([C@]([C@H](CCC(N)=O)3)(C)CC(N)=O)C)O)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06508
M END
