Mol:BMMCPYURS602
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 38 40 0 0 1 0 0 0 0 0999 V2000 4.5768 2.8603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9836 3.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3958 4.5829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4013 4.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9945 3.5648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 3.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 3.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 5.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 4.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 5.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 5.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4115 -2.6010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -4.1010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4115 -4.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2776 -4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2776 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6795 -2.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4115 -5.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4115 -1.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2206 -1.0132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9115 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9115 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3238 0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2206 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4993 0.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6025 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 0.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7414 1.4514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.9324 0.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5505 2.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 2.1559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2637 1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 3.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26 30 1 6 0 0 0 26 25 1 0 0 0 0 23 30 1 6 0 0 0 25 24 1 0 0 0 0 23 24 1 0 0 0 0 23 15 1 0 0 0 0 24 28 1 1 0 0 0 25 29 1 1 0 0 0 17 18 1 0 0 0 0 17 16 1 0 0 0 0 16 15 1 0 0 0 0 15 20 1 0 0 0 0 20 19 2 0 0 0 0 19 18 1 0 0 0 0 18 22 2 0 0 0 0 16 21 2 0 0 0 0 26 27 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 36 35 1 0 0 0 0 32 34 1 0 0 0 0 32 33 2 0 0 0 0 36 7 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 5 14 1 0 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 6 0 0 0 1 7 1 4 0 0 0 3 12 1 6 0 0 0 4 13 1 1 0 0 0 2 8 1 1 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 8 9 1 0 0 0 0 S SKP 7 ID BMMCPYURS602 NAME UDP-2-acetamido-4-amino-2,4,6-trideoxy-glucose FORMULA C17H28N4O15P2 EXACTMASS 590.1026 AVERAGEMASS 590.3697 SMILES CC(=O)N[C@H]([C@@H](O)3)C(O[C@H](C)[C@@H](N)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+C04630 M END