Mol:BMCCPTFOo002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 45 0 0 1 0 0 0 0 0999 V2000 17.5885 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33 27 1 0 0 0 0 2 13 1 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 28 41 2 0 0 0 0 31 32 1 0 0 0 0 32 42 2 0 0 0 0 11 12 2 0 0 0 0 12 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 15 20 2 0 0 0 0 4 34 2 0 0 0 0 20 19 1 0 0 0 0 6 9 1 0 0 0 0 19 18 2 0 0 0 0 9 10 1 0 0 0 0 10 15 1 0 0 0 0 18 17 1 0 0 0 0 10 14 1 0 0 0 0 17 16 2 0 0 0 0 14 35 2 0 0 0 0 16 15 1 0 0 0 0 18 21 1 0 0 0 0 32 43 1 0 0 0 0 21 22 1 0 0 0 0 29 28 1 0 0 0 0 24 22 1 0 0 0 0 29 33 1 6 0 0 0 24 25 1 1 0 0 0 30 31 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 2 3 1 0 0 0 0 21 36 2 0 0 0 0 3 4 1 0 0 0 0 24 23 1 0 0 0 0 4 12 1 0 0 0 0 23 37 1 0 0 0 0 11 1 1 0 0 0 0 23 38 2 0 0 0 0 1 2 2 0 0 0 0 27 39 2 0 0 0 0 S SKP 7 ID BMCCPTFOo002 NAME 2- [ [4- [ [4- [(2-Amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl) methyl-formylamino] benzoyl] amino] -5-hydroxy-5-oxopentanoyl] amino] pentanedioicacid CAS_RN 29552-62-3 FORMULA C25H30N8O10 EXACTMASS 602.2084 AVERAGEMASS 602.5536 SMILES OC(=O)[C@@H](NC(CC[C@@H](C(O)=O)NC(c(c3)ccc(c3)N(C=O)CC(N2)CNC(=C21)N=C(N)NC1=O)=O)=O)CCC(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05928 M END