Mol:BMCCPUADf013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 1 0 0 0 0 0999 V2000 8.8043 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9383 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9383 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8043 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6703 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6703 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4135 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0067 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0122 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5364 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3431 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5510 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6850 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9418 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9637 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4646 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 0.8981 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 4.3164 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 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 12 16 1 1 0 0 0 14 18 1 6 0 0 0 5 6 1 0 0 0 0 3 2 2 0 0 0 0 13 17 1 1 0 0 0 14 15 1 0 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 2 1 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 11 9 1 0 0 0 0 20 21 1 0 0 0 0 9 4 1 0 0 0 0 21 22 1 0 0 0 0 9 8 1 0 0 0 0 22 23 1 0 0 0 0 12 11 1 0 0 0 0 19 24 1 0 0 0 0 S SKP 7 ID BMCCPUADf013 NAME S-Adenosyl-L-methioninamine FORMULA C14H23N6O3S EXACTMASS 355.1552 AVERAGEMASS 355.437 SMILES NCCC[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+C01137 M END