Mol:BMCCPUAPj019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 1 0 0 0 0 0999 V2000 | + | 31 33 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 3.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.8235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.8235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.8235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.8235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.6765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.6765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2812 -0.4855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2812 -0.4855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8690 0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8690 0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2812 1.1325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2812 1.1325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.3235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.3235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5902 -1.4366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.5902 -1.4366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.0024 -2.2456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.0024 -2.2456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.5902 -3.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.5902 -3.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.5413 -2.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.5413 -2.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.3503 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3503 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0024 -2.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0024 -2.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2812 -4.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2812 -4.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5413 -1.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5413 -1.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2638 -2.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2638 -2.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0728 -3.5145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0728 -3.5145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4851 -4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4851 -4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6606 -2.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6606 -2.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8819 -4.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8819 -4.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18 26 1 6 0 0 0 | + | 18 26 1 6 0 0 0 |
| − | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
| − | 15 26 1 6 0 0 0 | + | 15 26 1 6 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 16 24 1 1 0 0 0 | + | 16 24 1 1 0 0 0 |
| − | 17 25 1 1 0 0 0 | + | 17 25 1 1 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 2 0 0 0 0 | + | 7 6 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 10 2 0 0 0 0 | + | 5 10 2 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 12 2 0 0 0 0 | + | 13 12 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 8 1 0 0 0 0 | + | 11 8 1 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 15 11 1 0 0 0 0 | + | 15 11 1 0 0 0 0 |
| − | 31 28 1 0 0 0 0 | + | 31 28 1 0 0 0 0 |
| − | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | 4 23 2 0 0 0 0 | + | 4 23 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 20 2 0 0 0 0 | + | 1 20 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 2 14 1 4 0 0 0 | + | 2 14 1 4 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUAPj019 | + | ID BMCCPUAPj019 |
| − | NAME Adenylo-succinic acid | + | NAME Adenylo-succinic acid |
| − | FORMULA C14H18N5O11P | + | FORMULA C14H18N5O11P |
| − | EXACTMASS 463.074 | + | EXACTMASS 463.074 |
| − | AVERAGEMASS 463.2935 | + | AVERAGEMASS 463.2935 |
| − | SMILES OC(=O)CC(C(O)=O)Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | + | SMILES OC(=O)CC(C(O)=O)Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03794 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03794 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 1 0 0 0 0 0999 V2000
4.5981 3.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8235 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 2.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2812 -0.4855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8690 0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2812 1.1325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5902 -1.4366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0024 -2.2456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5902 -3.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5413 -2.7456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3503 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0024 -2.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2812 -4.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5413 -1.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2638 -2.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0728 -3.5145 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.4851 -4.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6606 -2.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8819 -4.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18 26 1 6 0 0 0
18 17 1 0 0 0 0
15 26 1 6 0 0 0
17 16 1 0 0 0 0
15 16 1 0 0 0 0
18 19 1 0 0 0 0
16 24 1 1 0 0 0
17 25 1 1 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
6 5 1 0 0 0 0
5 10 2 0 0 0 0
10 9 1 0 0 0 0
8 9 2 0 0 0 0
9 13 1 0 0 0 0
13 12 2 0 0 0 0
12 11 1 0 0 0 0
11 8 1 0 0 0 0
10 14 1 0 0 0 0
15 11 1 0 0 0 0
31 28 1 0 0 0 0
28 27 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
27 19 1 0 0 0 0
2 3 1 0 0 0 0
4 22 1 0 0 0 0
4 23 2 0 0 0 0
3 4 1 0 0 0 0
1 20 2 0 0 0 0
2 1 1 0 0 0 0
1 21 1 0 0 0 0
2 14 1 4 0 0 0
S SKP 7
ID BMCCPUAPj019
NAME Adenylo-succinic acid
FORMULA C14H18N5O11P
EXACTMASS 463.074
AVERAGEMASS 463.2935
SMILES OC(=O)CC(C(O)=O)Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03794
M END
