Mol:BMMCPYURS622
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 42 0 0 1 0 0 0 0 0999 V2000 5.1646 -0.7466 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7579 -1.6601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7634 -1.7647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1756 -0.9557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5823 -0.0421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9945 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 -2.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 -3.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 -3.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 -0.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 -2.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 0.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5437 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5437 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 3.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4097 0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9456 2.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8411 3.0703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8629 3.2782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3629 2.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3684 2.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5842 3.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4562 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 1.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9617 1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 1.2895 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0717 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8626 2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 1.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 0.2715 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.4794 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6523 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28 32 1 6 0 0 0 28 27 1 0 0 0 0 25 32 1 6 0 0 0 27 26 1 0 0 0 0 25 26 1 0 0 0 0 25 17 1 0 0 0 0 26 30 1 1 0 0 0 27 31 1 1 0 0 0 19 20 1 0 0 0 0 19 18 1 0 0 0 0 18 17 1 0 0 0 0 17 22 1 0 0 0 0 22 21 2 0 0 0 0 21 20 1 0 0 0 0 20 24 2 0 0 0 0 18 23 2 0 0 0 0 28 29 1 0 0 0 0 29 33 1 0 0 0 0 33 34 1 0 0 0 0 34 37 1 0 0 0 0 38 37 1 0 0 0 0 34 36 1 0 0 0 0 34 35 2 0 0 0 0 38 10 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 5 14 1 1 0 0 0 5 4 1 0 0 0 0 4 3 1 0 0 0 0 3 2 1 0 0 0 0 2 1 1 0 0 0 0 1 14 1 0 0 0 0 5 6 1 0 0 0 0 3 12 1 1 0 0 0 2 7 1 1 0 0 0 4 13 1 6 0 0 0 6 16 1 0 0 0 0 1 10 1 4 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 7 8 1 0 0 0 0 6 15 2 0 0 0 0 S SKP 7 ID BMMCPYURS622 NAME UDP-N-acetyl-D-mannosamino-uronic acid FORMULA C17H25N3O18P2 EXACTMASS 621.0608 AVERAGEMASS 621.3373 SMILES CC(=O)N[C@@H]([C@@H](O)3)C(O[C@H](C(O)=O)[C@@H](O)3)OP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06240 M END