Mol:BMCCPUADf013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 1 0 0 0 0 0999 V2000 | + | 24 26 0 0 1 0 0 0 0 0999 V2000 |
| − | 8.8043 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8043 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9383 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9383 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9383 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9383 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8043 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8043 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6703 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6703 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6703 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6703 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4135 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4135 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0067 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0067 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0122 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0122 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5364 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5364 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3431 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.3431 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.5510 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.5510 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.6850 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.6850 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.9418 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.9418 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.9637 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9637 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4646 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4646 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5805 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5805 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3486 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3486 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2946 0.8981 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 | + | 5.2946 0.8981 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3164 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3164 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6691 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6691 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.1724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.1724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6036 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6036 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11 18 1 6 0 0 0 | + | 11 18 1 6 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 14 18 1 6 0 0 0 | + | 14 18 1 6 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 13 17 1 1 0 0 0 | + | 13 17 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 11 9 1 0 0 0 0 | + | 11 9 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUADf013 | + | ID BMCCPUADf013 |
| − | NAME S-Adenosyl-L-methioninamine | + | NAME S-Adenosyl-L-methioninamine |
| − | FORMULA C14H23N6O3S | + | FORMULA C14H23N6O3S |
| − | EXACTMASS 355.1552 | + | EXACTMASS 355.1552 |
| − | AVERAGEMASS 355.437 | + | AVERAGEMASS 355.437 |
| − | SMILES NCCC[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 NCCC[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+C01137 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01137 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 1 0 0 0 0 0999 V2000
8.8043 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9383 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9383 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8043 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6703 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6703 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4135 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0067 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0122 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5364 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3431 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5510 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6850 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9418 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9637 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4646 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5805 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3486 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 0.8981 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0
4.3164 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6036 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11 18 1 6 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
8 7 2 0 0 0 0
12 13 1 0 0 0 0
12 16 1 1 0 0 0
14 18 1 6 0 0 0
5 6 1 0 0 0 0
3 2 2 0 0 0 0
13 17 1 1 0 0 0
14 15 1 0 0 0 0
6 1 2 0 0 0 0
6 10 1 0 0 0 0
5 7 1 0 0 0 0
13 14 1 0 0 0 0
2 1 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
11 9 1 0 0 0 0
20 21 1 0 0 0 0
9 4 1 0 0 0 0
21 22 1 0 0 0 0
9 8 1 0 0 0 0
22 23 1 0 0 0 0
12 11 1 0 0 0 0
19 24 1 0 0 0 0
S SKP 7
ID BMCCPUADf013
NAME S-Adenosyl-L-methioninamine
FORMULA C14H23N6O3S
EXACTMASS 355.1552
AVERAGEMASS 355.437
SMILES NCCC[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+C01137
M END
