Mol:BMMCTZ--e006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 34 0 0 1 0 0 0 0 0999 V2000 3.7321 0.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.2691 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6055 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4347 0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8141 1.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5616 -3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6106 -3.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 -2.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -1.9904 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2208 2.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 2.6331 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.3198 1.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1108 3.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 2.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6166 3.6512 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.5301 3.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7030 4.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0233 4.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7695 -4.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3048 -2.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7084 -2.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 12 9 1 0 0 0 0 11 10 1 0 0 0 0 11 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 9 5 1 0 0 0 0 21 20 1 0 0 0 0 21 33 1 4 0 0 0 14 16 1 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 20 19 1 0 0 0 0 16 17 1 0 0 0 0 4 3 2 0 0 0 0 4 8 1 0 0 0 0 6 1 1 0 0 0 0 19 18 1 0 0 0 0 17 22 1 0 0 0 0 3 2 1 0 0 0 0 18 32 1 0 0 0 0 18 31 2 0 0 0 0 22 23 1 0 0 0 0 2 7 1 0 0 0 0 23 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 10 14 1 0 0 0 0 1 2 2 0 0 0 0 S SKP 7 ID BMMCTZ--e006 NAME 2-(Succinyl)-thiamine diphosphate FORMULA C16H25N4O10P2S EXACTMASS 527.0766 AVERAGEMASS 527.4041 SMILES OC(=O)CCC(O)c(s1)[n+1](Cc(c2)c(N)nc(C)n2)c(C)c(CCOP(O)(=O)OP(O)(O)=O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05381 M END