Mol:BMCCPUAPc009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 1 0 0 0 0 0999 V2000 3.7321 3.7954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 1.6263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5241 0.8172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1933 0.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9854 -0.9041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8514 -1.4041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5945 -0.7349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5727 -0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0718 -1.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9559 -2.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 -2.9864 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7347 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 -3.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 -0.4076 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4279 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1981 -0.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8672 0.1276 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 10.6104 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5364 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 9 1 0 0 0 0 9 8 1 0 0 0 0 8 7 2 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 13 14 1 0 0 0 0 13 12 1 0 0 0 0 12 11 1 0 0 0 0 11 18 1 6 0 0 0 14 18 1 6 0 0 0 11 9 1 0 0 0 0 14 15 1 0 0 0 0 13 17 1 1 0 0 0 12 16 1 1 0 0 0 15 19 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 2 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 20 22 1 0 0 0 0 S SKP 7 ID BMCCPUAPc009 NAME [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methyl selenono hydrogen phosphate CAS_RN 90120-87-9 FORMULA C10H15N5O13P2Se EXACTMASS 554.9306 AVERAGEMASS 554.1595 SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](COP(O)(=O)O[Se](O)(=O)=O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05696 M END