Mol:BMCCPTFOo003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 52 54 0 0 1 0 0 0 0 0999 V2000 3.7321 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1244 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9904 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20 15 1 0 0 0 0 30 31 1 0 0 0 0 34 49 1 0 0 0 0 31 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 11 1 1 0 0 0 0 1 2 2 0 0 0 0 29 28 1 0 0 0 0 2 13 1 0 0 0 0 34 50 2 0 0 0 0 28 47 1 0 0 0 0 36 37 1 0 0 0 0 28 46 2 0 0 0 0 38 51 2 0 0 0 0 32 48 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 4 40 2 0 0 0 0 29 33 1 1 0 0 0 6 9 1 0 0 0 0 38 52 1 0 0 0 0 9 10 1 0 0 0 0 10 15 1 0 0 0 0 33 27 1 0 0 0 0 10 14 1 0 0 0 0 37 38 1 0 0 0 0 14 41 2 0 0 0 0 35 39 1 6 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 35 34 1 0 0 0 0 24 22 1 0 0 0 0 29 30 1 0 0 0 0 24 25 1 1 0 0 0 35 36 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 15 16 2 0 0 0 0 21 42 2 0 0 0 0 16 17 1 0 0 0 0 24 23 1 0 0 0 0 17 18 2 0 0 0 0 23 43 1 0 0 0 0 18 19 1 0 0 0 0 23 44 2 0 0 0 0 19 20 2 0 0 0 0 27 45 2 0 0 0 0 32 39 1 0 0 0 0 S SKP 7 ID BMCCPTFOo003 NAME 10-Formyl-THF-poly-L-glutamic acid FORMULA C30H37N9O13 EXACTMASS 731.251 AVERAGEMASS 731.6676 SMILES C(O)(=O)[C@H](CCC(O)=O)NC(CC[C@@H](C(O)=O)NC(=O)CC[C@@H](C(O)=O)NC(c(c1)ccc(N(C=O)CC(C2)NC(C3=O)=C(N=C(N3)N)N2)c1)=O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05929 M END