Mol:BMCCPUADf014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 1 0 0 0 0 0999 V2000 | + | 27 29 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.9781 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 0.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.6473 0.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.6254 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6254 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2946 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2946 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3383 1.5218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3383 1.5218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2727 0.8981 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 | + | 6.2727 0.8981 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5817 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5817 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7825 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7825 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9164 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9164 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9164 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9164 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7825 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7825 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6485 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6485 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6485 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6485 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3916 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3916 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9849 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9849 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9904 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9904 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5145 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5145 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3212 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.3212 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.5292 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.5292 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.6631 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.6631 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.9200 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.9200 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.9418 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9418 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 -1.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2872 -1.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4427 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4427 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5586 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5586 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3267 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3267 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15 14 2 0 0 0 0 | + | 15 14 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 25 1 1 0 0 0 | + | 19 25 1 1 0 0 0 |
| − | 21 27 1 6 0 0 0 | + | 21 27 1 6 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 10 9 2 0 0 0 0 | + | 10 9 2 0 0 0 0 |
| − | 20 26 1 1 0 0 0 | + | 20 26 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 13 8 2 0 0 0 0 | + | 13 8 2 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 6 4 1 0 0 0 0 | + | 6 4 1 0 0 0 0 |
| − | 18 16 1 0 0 0 0 | + | 18 16 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 18 27 1 6 0 0 0 | + | 18 27 1 6 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 2 5 1 1 0 0 0 | + | 2 5 1 1 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 1 23 2 0 0 0 0 | + | 1 23 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUADf014 | + | ID BMCCPUADf014 |
| − | NAME S-Adenosyl-L-methionine | + | NAME S-Adenosyl-L-methionine |
| − | FORMULA C15H23N6O5S | + | FORMULA C15H23N6O5S |
| − | EXACTMASS 399.145 | + | EXACTMASS 399.145 |
| − | AVERAGEMASS 399.4465 | + | AVERAGEMASS 399.4465 |
| − | SMILES OC(=O)[C@@H](N)CC[S+1](C)C[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 | + | SMILES OC(=O)[C@@H](N)CC[S+1](C)C[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00019 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00019 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 1 0 0 0 0 0999 V2000
2.9781 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 0.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6254 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3383 1.5218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2727 0.8981 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0
6.5817 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7825 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9164 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9164 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7825 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6485 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6485 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3916 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9849 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9904 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5145 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3212 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5292 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6631 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9200 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9418 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 -1.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4427 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5586 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3267 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15 14 2 0 0 0 0
19 20 1 0 0 0 0
19 25 1 1 0 0 0
21 27 1 6 0 0 0
12 13 1 0 0 0 0
10 9 2 0 0 0 0
20 26 1 1 0 0 0
21 22 1 0 0 0 0
13 8 2 0 0 0 0
13 17 1 0 0 0 0
12 14 1 0 0 0 0
20 21 1 0 0 0 0
9 8 1 0 0 0 0
22 6 1 0 0 0 0
6 4 1 0 0 0 0
18 16 1 0 0 0 0
4 3 1 0 0 0 0
16 11 1 0 0 0 0
3 2 1 0 0 0 0
16 15 1 0 0 0 0
2 1 1 0 0 0 0
19 18 1 0 0 0 0
6 7 1 0 0 0 0
18 27 1 6 0 0 0
1 24 1 0 0 0 0
11 12 2 0 0 0 0
2 5 1 1 0 0 0
11 10 1 0 0 0 0
1 23 2 0 0 0 0
S SKP 7
ID BMCCPUADf014
NAME S-Adenosyl-L-methionine
FORMULA C15H23N6O5S
EXACTMASS 399.145
AVERAGEMASS 399.4465
SMILES OC(=O)[C@@H](N)CC[S+1](C)C[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00019
M END
