Mol:BMCCPUAPq005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 1 0 0 0 0 0999 V2000 2.6691 -0.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -0.7076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3164 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 0.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -1.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0989 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2328 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2328 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0989 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9649 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9649 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7080 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3013 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3068 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8309 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6376 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8456 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9795 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2364 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2582 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7591 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6431 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5891 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.4031 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8189 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6328 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.7068 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2205 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 13 2 0 0 0 0 21 22 1 0 0 0 0 13 12 1 0 0 0 0 22 26 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 13 17 1 0 0 0 0 31 32 2 0 0 0 0 31 30 1 0 0 0 0 31 33 1 0 0 0 0 7 31 1 0 0 0 0 18 16 1 0 0 0 0 4 1 1 0 0 0 0 11 10 1 0 0 0 0 1 2 1 0 0 0 0 10 9 2 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 9 8 1 0 0 0 0 1 5 2 0 0 0 0 2 6 1 4 0 0 0 19 18 1 0 0 0 0 18 25 1 6 0 0 0 21 25 1 6 0 0 0 30 27 1 0 0 0 0 27 26 1 0 0 0 0 27 29 1 0 0 0 0 27 28 2 0 0 0 0 21 20 1 0 0 0 0 20 24 1 1 0 0 0 20 19 1 0 0 0 0 19 23 1 1 0 0 0 S SKP 7 ID BMCCPUAPq005 NAME 3- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxypropanoic acid CAS_RN 96079-51-5 FORMULA C13H19N5O13P2 EXACTMASS 515.0454 AVERAGEMASS 515.2633 SMILES OC(=O)C(O)COP(O)(=O)OP(O)(=O)OC[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+C02509 M END