Mol:BMMCPYCT0022
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 29 0 0 1 0 0 0 0 0999 V2000 8.6437 -1.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7777 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7777 -3.1352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6437 -3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5097 -3.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5097 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9117 -1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6437 -4.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6437 -0.6352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4527 -0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1437 0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1437 0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5559 1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7315 1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8347 -0.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 1.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9736 2.4172 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3858 3.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4959 2.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 3.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 3.8262 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 4.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25 27 1 0 0 0 0 21 22 1 0 0 0 0 17 18 1 0 0 0 0 21 23 2 0 0 0 0 17 20 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 16 17 1 0 0 0 0 20 21 1 0 0 0 0 25 28 2 0 0 0 0 25 26 1 0 0 0 0 17 19 2 0 0 0 0 12 15 1 6 0 0 0 9 15 1 6 0 0 0 11 14 1 1 0 0 0 12 13 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 9 1 1 0 0 0 0 2 7 2 0 0 0 0 4 8 1 0 0 0 0 11 10 1 0 0 0 0 11 12 1 0 0 0 0 9 10 1 0 0 0 0 13 16 1 0 0 0 0 S SKP 7 ID BMMCPYCT0022 NAME dCTP FORMULA C9H16N3O13P3 EXACTMASS 466.9895 AVERAGEMASS 467.157 SMILES NC(C=2)=NC(=O)N(C2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00458 M END