Mol:BMCCPTPTe016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 27 0 0 1 0 0 0 0 0999 V2000 3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8923 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8923 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 1 0 0 0 0 6 12 1 0 0 0 0 3 2 1 0 0 0 0 12 16 1 1 0 0 0 2 1 2 0 0 0 0 12 13 1 0 0 0 0 1 9 1 0 0 0 0 13 14 1 0 0 0 0 10 9 2 0 0 0 0 13 17 1 6 0 0 0 9 8 1 0 0 0 0 14 18 1 0 0 0 0 8 7 1 0 0 0 0 18 19 1 0 0 0 0 7 6 1 0 0 0 0 19 22 1 0 0 0 0 6 5 2 0 0 0 0 22 23 1 0 0 0 0 5 10 1 0 0 0 0 23 25 1 0 0 0 0 23 24 1 0 0 0 0 2 11 1 0 0 0 0 19 20 1 0 0 0 0 10 4 1 0 0 0 0 19 21 2 0 0 0 0 4 15 2 0 0 0 0 23 26 2 0 0 0 0 S SKP 7 ID BMCCPTPTe016 NAME [(2R,3S) -3- (2-Amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl) -2,3-dihydroxypropyl] dihydrogen phosphate CAS_RN 19622-43-6 FORMULA C9H15N5O10P2 EXACTMASS 415.0294 AVERAGEMASS 415.1906 SMILES NC(N1)=NC(N2)=C(N=C(C2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(O)=O)C(=O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05925 M END