Mol:BMCCPUAPS501
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 1 0 0 0 0 0999 V2000 4.6272 0.0355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2205 -0.8780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2260 -0.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0181 0.2047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1045 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7205 -1.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 -1.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8841 0.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4097 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5437 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5437 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4097 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2757 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2757 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0189 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6121 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6176 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1418 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9485 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1564 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2904 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5472 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5691 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0699 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1858 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9540 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8999 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9218 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.7139 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1297 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9437 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2745 0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.0177 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5314 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 9 1 1 0 0 0 4 3 1 0 0 0 0 1 9 1 1 0 0 0 3 2 1 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 6 0 0 0 3 8 1 6 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 24 28 1 6 0 0 0 24 23 1 0 0 0 0 21 28 1 6 0 0 0 23 22 1 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 22 26 1 1 0 0 0 23 27 1 1 0 0 0 14 13 1 0 0 0 0 13 12 2 0 0 0 0 12 11 1 0 0 0 0 11 16 2 0 0 0 0 16 15 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 16 20 1 0 0 0 0 21 19 1 0 0 0 0 6 34 1 0 0 0 0 34 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 33 30 1 0 0 0 0 30 29 1 0 0 0 0 30 32 2 0 0 0 0 30 31 1 0 0 0 0 29 25 1 0 0 0 0 S SKP 7 ID BMCCPUAPS501 NAME ADP-1-ribose FORMULA C15H23N5O14P2 EXACTMASS 559.0716 AVERAGEMASS 559.3159 SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2n(c4)c(n3)c(n4)c(N)nc3 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01882 M END