Mol:BMCCPTFOk010
From Metabolomics.JP
(Difference between revisions)
Line 109: | Line 109: | ||
S SKP 7 | S SKP 7 | ||
ID BMCCPTFOk010 | ID BMCCPTFOk010 | ||
− | NAME 5- | + | NAME (2S) -2- [ [(4S) -4- [ [(4S) -4- [ [4- [ [(6S) -2-Amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl] methylamino] benzoyl] amino] -5-hydroxy-5-oxopentanoyl] amino] -5-hydroxy-5-oxopentanoyl] amino] pentanedioic acid |
+ | CAS_RN 13061-55-7 | ||
FORMULA C30H39N9O12 | FORMULA C30H39N9O12 | ||
EXACTMASS 717.2718 | EXACTMASS 717.2718 |
Latest revision as of 17:59, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/ 51 53 0 0 1 0 0 0 0 0999 V2000 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 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 3.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 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 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 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 7.1962 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.0000 0.0000 N 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 16.7224 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.5000 0.0000 N 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 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.0000 0.0000 N 0 0 0 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 10.6603 3.0000 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 9.7942 4.5000 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 8.9282 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 6.3301 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 30 1 0 0 0 0 29 19 1 0 0 0 0 30 29 2 0 0 0 0 30 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 4 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 20 31 1 0 0 0 0 22 50 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 33 1 0 0 0 0 51 36 1 0 0 0 0 51 18 1 0 0 0 0 51 49 2 0 0 0 0 23 32 1 0 0 0 0 14 18 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 13 1 0 0 0 0 13 47 2 0 0 0 0 13 48 1 0 0 0 0 17 12 1 0 0 0 0 46 17 2 0 0 0 0 8 12 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 7 1 0 0 0 0 7 45 2 0 0 0 0 7 44 1 0 0 0 0 10 11 1 0 0 0 0 11 6 1 0 0 0 0 11 43 2 0 0 0 0 2 6 1 6 0 0 0 2 3 1 0 0 0 0 2 1 1 0 0 0 0 1 40 1 0 0 0 0 1 39 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 42 2 0 0 0 0 5 41 1 0 0 0 0 S SKP 7 ID BMCCPTFOk010 NAME (2S) -2- [ [(4S) -4- [ [(4S) -4- [ [4- [ [(6S) -2-Amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl] methylamino] benzoyl] amino] -5-hydroxy-5-oxopentanoyl] amino] -5-hydroxy-5-oxopentanoyl] amino] pentanedioic acid CAS_RN 13061-55-7 FORMULA C30H39N9O12 EXACTMASS 717.2718 AVERAGEMASS 717.6841 SMILES C(O)(=O)[C@H](CCC(O)=O)NC(CC[C@@H](C(O)=O)NC(=O)CC[C@H](NC(c(c3)ccc(c3)NCC(C2)N(c(c(N2)1)c(nc(n1)N)O)C)=O)C(O)=O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04489 M END