Mol:BMCCPUGUS608
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 1 0 0 0 0 0999 V2000 | + | 39 42 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.9344 0.0355 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.9344 0.0355 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.6254 -0.9155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.6254 -0.9155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 -1.1234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.6473 -1.1234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 -0.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.9781 -0.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 0.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2872 0.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.6180 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6180 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9126 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9126 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2946 -1.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2946 -1.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3383 -2.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3383 -2.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2653 0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2653 0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9271 2.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9271 2.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.7169 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.7169 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8509 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8509 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8509 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8509 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.7169 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.7169 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.5829 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.5829 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.5829 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.5829 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.3261 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.3261 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.9193 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.9193 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.9248 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.9248 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9849 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9849 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.4490 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.4490 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.2557 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 12.2557 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 12.4636 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 12.4636 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.5976 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.5976 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.8544 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.8544 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.8763 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8763 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.3771 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.3771 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.4930 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4930 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2612 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2612 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2071 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2071 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2290 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2290 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0211 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0211 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4369 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4369 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2509 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2509 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5817 0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5817 0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3249 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3249 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8386 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8386 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 24 31 1 6 0 0 0 | + | 24 31 1 6 0 0 0 |
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| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 25 29 1 1 0 0 0 | + | 25 29 1 1 0 0 0 |
| − | 26 30 1 1 0 0 0 | + | 26 30 1 1 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 17 16 2 0 0 0 0 | + | 17 16 2 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 20 19 2 0 0 0 0 | + | 20 19 2 0 0 0 0 |
| − | 19 17 1 0 0 0 0 | + | 19 17 1 0 0 0 0 |
| − | 18 23 2 0 0 0 0 | + | 18 23 2 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 37 7 1 0 0 0 0 | + | 37 7 1 0 0 0 0 |
| − | 37 39 2 0 0 0 0 | + | 37 39 2 0 0 0 0 |
| − | 12 6 1 0 0 0 0 | + | 12 6 1 0 0 0 0 |
| − | 5 11 1 1 0 0 0 | + | 5 11 1 1 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 7 1 4 0 0 0 | + | 1 7 1 4 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 3 9 1 1 0 0 0 | + | 3 9 1 1 0 0 0 |
| − | 4 10 1 6 0 0 0 | + | 4 10 1 6 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUGUS608 | + | ID BMCCPUGUS608 |
| − | NAME GDP-D-mannose | + | NAME GDP-D-mannose |
| − | FORMULA C16H25N5O16P2 | + | FORMULA C16H25N5O16P2 |
| − | EXACTMASS 605.0771 | + | EXACTMASS 605.0771 |
| − | AVERAGEMASS 605.3413 | + | AVERAGEMASS 605.3413 |
| − | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2n(c4)c(N=3)c(n4)C(=O)NC(N)3 | + | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2n(c4)c(N=3)c(n4)C(=O)NC(N)3 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00096 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00096 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 1 0 0 0 0 0999 V2000
4.9344 0.0355 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.6254 -0.9155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6473 -1.1234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9781 -0.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2872 0.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6180 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9126 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 -1.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3383 -2.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9271 2.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7169 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8509 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8509 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.7169 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5829 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5829 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3261 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9193 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9248 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9849 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.4490 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2557 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.4636 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5976 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.8544 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8763 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3771 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4930 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2612 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2071 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2290 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.0211 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4369 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2509 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5817 0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.3249 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8386 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
27 31 1 6 0 0 0
27 26 1 0 0 0 0
24 31 1 6 0 0 0
26 25 1 0 0 0 0
24 25 1 0 0 0 0
24 21 1 0 0 0 0
25 29 1 1 0 0 0
26 30 1 1 0 0 0
13 18 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
17 18 1 0 0 0 0
17 16 2 0 0 0 0
16 21 1 0 0 0 0
21 20 1 0 0 0 0
20 19 2 0 0 0 0
19 17 1 0 0 0 0
18 23 2 0 0 0 0
14 22 1 0 0 0 0
27 28 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 0 0 0 0
33 34 2 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 7 1 0 0 0 0
37 39 2 0 0 0 0
12 6 1 0 0 0 0
5 11 1 1 0 0 0
1 11 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 7 1 4 0 0 0
2 8 1 1 0 0 0
3 9 1 1 0 0 0
4 10 1 6 0 0 0
S SKP 7
ID BMCCPUGUS608
NAME GDP-D-mannose
FORMULA C16H25N5O16P2
EXACTMASS 605.0771
AVERAGEMASS 605.3413
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2n(c4)c(N=3)c(n4)C(=O)NC(N)3
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00096
M END
