Mol:BMCCPUADf014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 1 0 0 0 0 0999 V2000 2.9781 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 0.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6254 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 1.5218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2727 0.8981 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.5817 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7825 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9164 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9164 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7825 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6485 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6485 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3916 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9849 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9904 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5145 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3212 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5292 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6631 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9200 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9418 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -1.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4427 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5586 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 14 2 0 0 0 0 19 20 1 0 0 0 0 19 25 1 1 0 0 0 21 27 1 6 0 0 0 12 13 1 0 0 0 0 10 9 2 0 0 0 0 20 26 1 1 0 0 0 21 22 1 0 0 0 0 13 8 2 0 0 0 0 13 17 1 0 0 0 0 12 14 1 0 0 0 0 20 21 1 0 0 0 0 9 8 1 0 0 0 0 22 6 1 0 0 0 0 6 4 1 0 0 0 0 18 16 1 0 0 0 0 4 3 1 0 0 0 0 16 11 1 0 0 0 0 3 2 1 0 0 0 0 16 15 1 0 0 0 0 2 1 1 0 0 0 0 19 18 1 0 0 0 0 6 7 1 0 0 0 0 18 27 1 6 0 0 0 1 24 1 0 0 0 0 11 12 2 0 0 0 0 2 5 1 1 0 0 0 11 10 1 0 0 0 0 1 23 2 0 0 0 0 S SKP 7 ID BMCCPUADf014 NAME S-Adenosyl-L-methionine FORMULA C15H23N6O5S EXACTMASS 399.145 AVERAGEMASS 399.4465 SMILES OC(=O)[C@@H](N)CC[S+1](C)C[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+C00019 M END