Mol:BMMCPYURS618
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 41 0 0 1 0 0 0 0 0999 V2000 4.5981 -3.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -4.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -5.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -5.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 4.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8662 4.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4595 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4650 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8772 5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6852 3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0473 6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6962 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3871 2.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4361 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15 6 1 0 0 0 0 5 14 1 6 0 0 0 1 14 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 10 1 4 0 0 0 2 7 1 1 0 0 0 3 12 1 6 0 0 0 4 13 1 6 0 0 0 7 8 1 0 0 0 0 8 11 2 0 0 0 0 8 9 1 0 0 0 0 18 19 1 0 0 0 0 18 17 1 0 0 0 0 17 16 1 0 0 0 0 16 21 1 0 0 0 0 21 20 2 0 0 0 0 20 19 1 0 0 0 0 19 23 2 0 0 0 0 17 22 2 0 0 0 0 27 31 1 6 0 0 0 27 26 1 0 0 0 0 24 31 1 6 0 0 0 26 25 1 0 0 0 0 24 25 1 0 0 0 0 27 28 1 0 0 0 0 28 32 1 0 0 0 0 25 29 1 1 0 0 0 26 30 1 1 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 39 2 0 0 0 0 37 38 1 0 0 0 0 24 16 1 0 0 0 0 10 37 1 0 0 0 0 S SKP 7 ID BMMCPYURS618 NAME UDP-N-acetyl-D-galactosamine FORMULA C17H27N3O17P2 EXACTMASS 607.0815 AVERAGEMASS 607.3538 SMILES OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](NC(C)=O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2N(C=3)C(=O)NC(=O)C3 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00203 M END