Mol:BMCCPUAP0036
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 49 54 0 0 1 0 0 0 0 0999 V2000 | + | 49 54 0 0 1 0 0 0 0 0999 V2000 |
− | 3.7321 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5981 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7321 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2.0000 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1933 -0.9113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 -0.9113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
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− | 5.5945 -1.7204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5945 -1.7204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
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− | 4.9559 -3.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9559 -3.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.1878 -0.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 -0.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.2418 -1.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2418 -1.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.1939 1.6614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.1939 1.6614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.7872 0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.7872 0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.7926 0.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.7926 0.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.2048 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.2048 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.6116 2.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.6116 2.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 16.2103 1.5569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.2103 1.5569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.0128 3.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.0128 3.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.5412 0.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 15.5412 0.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
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− | 14.8831 -0.6644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 14.8831 -0.6644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
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− | 13.1618 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.1618 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 14.5467 0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.5467 0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.4927 -0.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4927 -0.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5145 -0.3226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5145 -0.3226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.3066 -1.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3066 -1.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.7224 0.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.7224 0.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.5364 -0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5364 -0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.8672 -0.8578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8672 -0.8578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.6104 -1.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6104 -1.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.1241 -0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1241 -0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.1981 -1.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1981 -1.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.2200 -1.3930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2200 -1.3930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
− | 43 46 1 0 0 0 0 | + | 43 46 1 0 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
− | 47 49 1 0 0 0 0 | + | 47 49 1 0 0 0 0 |
− | 39 41 2 0 0 0 0 | + | 39 41 2 0 0 0 0 |
− | 47 19 1 0 0 0 0 | + | 47 19 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 22 21 2 0 0 0 0 | + | 22 21 2 0 0 0 0 |
− | 32 36 1 6 0 0 0 | + | 32 36 1 6 0 0 0 |
− | 25 20 2 0 0 0 0 | + | 25 20 2 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
− | 30 28 1 0 0 0 0 | + | 30 28 1 0 0 0 0 |
− | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
− | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
− | 31 30 1 0 0 0 0 | + | 31 30 1 0 0 0 0 |
− | 30 37 1 1 0 0 0 | + | 30 37 1 1 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
− | 27 26 2 0 0 0 0 | + | 27 26 2 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 33 37 1 1 0 0 0 | + | 33 37 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 31 35 1 6 0 0 0 | + | 31 35 1 6 0 0 0 |
− | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCPUAP0036 | + | ID BMCCPUAP0036 |
− | NAME P1,P3-Bis(5'-adenosyl) triphosphate | + | NAME P1,P3-Bis(5'-adenosyl) triphosphate |
− | FORMULA C20H27N10O16P3 | + | FORMULA C20H27N10O16P3 |
− | EXACTMASS 756.0819 | + | EXACTMASS 756.0819 |
− | AVERAGEMASS 756.4074 | + | AVERAGEMASS 756.4074 |
− | SMILES OP(=O)(OP(O)(=O)OP(O)(=O)OC[C@H]([C@H]6O)O[C@H]([C@@H]6O)n(c5)c(n4)c(n5)c(N)nc4)OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)n(c2)c(n1)c(n2)c(N)nc1 | + | SMILES OP(=O)(OP(O)(=O)OP(O)(=O)OC[C@H]([C@H]6O)O[C@H]([C@@H]6O)n(c5)c(n4)c(n5)c(N)nc4)OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)n(c2)c(n1)c(n2)c(N)nc1 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06197 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06197 |
M END | M END | ||
− |
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 49 54 0 0 1 0 0 0 0 0999 V2000 3.7321 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 0.6408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 -0.1682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 -0.9113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9854 -1.8895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8514 -2.3895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5945 -1.7204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5727 -1.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0718 -2.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9559 -3.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 -0.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 -1.1851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1939 1.6614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7872 0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7926 0.6434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2048 1.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6116 2.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6061 2.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8684 3.0351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0024 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2103 1.5569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0128 3.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5412 0.8138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7491 -0.1644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8831 -0.6644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1399 0.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1618 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6627 -0.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7786 -1.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5467 0.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4927 -0.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5145 -0.3226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.3066 -1.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7224 0.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5364 -0.1147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8672 -0.8578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.6104 -1.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1981 -1.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 -1.3930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -2.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 -0.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 11 9 1 0 0 0 0 9 4 1 0 0 0 0 9 8 1 0 0 0 0 12 11 1 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 14 18 1 6 0 0 0 14 15 1 0 0 0 0 12 16 1 1 0 0 0 15 19 1 0 0 0 0 5 6 1 0 0 0 0 3 2 2 0 0 0 0 13 17 1 1 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 43 45 2 0 0 0 0 39 42 1 0 0 0 0 43 46 1 0 0 0 0 46 47 1 0 0 0 0 38 39 1 0 0 0 0 42 43 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 39 41 2 0 0 0 0 47 19 1 0 0 0 0 43 44 1 0 0 0 0 39 40 1 0 0 0 0 24 25 1 0 0 0 0 22 21 2 0 0 0 0 32 36 1 6 0 0 0 25 20 2 0 0 0 0 25 29 1 0 0 0 0 24 26 1 0 0 0 0 32 33 1 0 0 0 0 21 20 1 0 0 0 0 30 28 1 0 0 0 0 28 23 1 0 0 0 0 28 27 1 0 0 0 0 31 30 1 0 0 0 0 30 37 1 1 0 0 0 23 24 2 0 0 0 0 23 22 1 0 0 0 0 27 26 2 0 0 0 0 31 32 1 0 0 0 0 33 37 1 1 0 0 0 33 34 1 0 0 0 0 31 35 1 6 0 0 0 34 38 1 0 0 0 0 S SKP 7 ID BMCCPUAP0036 NAME P1,P3-Bis(5'-adenosyl) triphosphate FORMULA C20H27N10O16P3 EXACTMASS 756.0819 AVERAGEMASS 756.4074 SMILES OP(=O)(OP(O)(=O)OP(O)(=O)OC[C@H]([C@H]6O)O[C@H]([C@@H]6O)n(c5)c(n4)c(n5)c(N)nc4)OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)n(c2)c(n1)c(n2)c(N)nc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06197 M END