Mol:BMSUM6Ne--10
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 22 0 0 1 0 0 0 0 0999 V2000 | + | 22 22 0 0 1 0 0 0 0 0999 V2000 |
− | 4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.4641 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 5.4641 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4641 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1962 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.6962 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6962 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.6962 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6962 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4 16 1 6 0 0 0 | + | 4 16 1 6 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 13 15 2 0 0 0 0 | + | 13 15 2 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 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 5 17 1 1 0 0 0 | + | 5 17 1 1 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
− | 3 12 1 1 0 0 0 | + | 3 12 1 1 0 0 0 |
− | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
− | 6 18 1 6 0 0 0 | + | 6 18 1 6 0 0 0 |
− | 2 11 1 6 0 0 0 | + | 2 11 1 6 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMSUM6Ne--10 | + | ID BMSUM6Ne--10 |
− | NAME Streptidine 6-phosphate | + | NAME Streptidine 6-phosphate |
− | FORMULA C8H19N6O7P | + | FORMULA C8H19N6O7P |
− | EXACTMASS 342.1052 | + | EXACTMASS 342.1052 |
− | AVERAGEMASS 342.2464 | + | AVERAGEMASS 342.2464 |
− | SMILES NC(=N)N[C@H]([C@@H](O)1)[C@H](O)[C@@H](NC(N)=N)[C@@H]([C@@H](O)1)OP(O)(O)=O | + | SMILES NC(=N)N[C@H]([C@@H](O)1)[C@H](O)[C@@H](NC(N)=N)[C@@H]([C@@H](O)1)OP(O)(O)=O |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01121 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01121 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 22 22 0 0 1 0 0 0 0 0999 V2000 4.5981 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 16 1 6 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 8 9 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 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 6 1 1 0 0 0 0 1 2 1 0 0 0 0 1 7 1 1 0 0 0 18 19 1 0 0 0 0 5 17 1 1 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 3 12 1 1 0 0 0 19 22 1 0 0 0 0 6 18 1 6 0 0 0 2 11 1 6 0 0 0 S SKP 7 ID BMSUM6Ne--10 NAME Streptidine 6-phosphate FORMULA C8H19N6O7P EXACTMASS 342.1052 AVERAGEMASS 342.2464 SMILES NC(=N)N[C@H]([C@@H](O)1)[C@H](O)[C@@H](NC(N)=N)[C@@H]([C@@H](O)1)OP(O)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01121 M END