HMDB0001372 RDKit 3D Thiamine pyrophosphate 45 46 0 0 0 0 0 0 0 0999 V2000 -5.8388 2.6750 1.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9876 1.6885 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 1.8898 0.7954 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9166 1.0121 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 -0.1114 -0.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -1.1185 -1.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -1.0313 -1.2319 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.6014 -0.4642 -2.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0219 -0.7202 -1.8179 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -1.5526 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -2.0291 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6912 -0.8148 0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2726 -0.5627 -0.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4249 0.6127 -0.3348 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6560 0.9776 -1.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 1.9562 0.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9532 0.0233 0.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0880 1.2137 -0.2018 P 0 0 0 0 0 5 0 0 0 0 0 0 6.9937 1.4308 -1.7034 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7103 2.7068 0.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6515 0.6971 0.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5927 -1.5918 -0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2355 -2.3172 0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8265 -0.2975 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5412 -1.3919 -0.8546 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 0.6160 0.3909 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7895 2.1630 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3626 3.0017 2.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1077 3.5233 1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8522 1.2203 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0559 -0.9921 -2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1041 -2.1361 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0488 0.0479 -3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 -2.8467 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 -2.2384 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 -1.1362 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 0.0459 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 2.0673 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8885 3.4288 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1005 1.5087 0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 -2.7392 0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6096 -3.1958 1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 -1.6305 1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9195 -2.1269 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6876 -1.4612 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 14 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 18 21 1 0 10 22 2 0 22 23 1 0 5 24 1 0 24 25 1 0 24 26 2 0 26 2 1 0 22 7 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 6 32 1 0 8 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 16 38 1 0 20 39 1 0 21 40 1 0 23 41 1 0 23 42 1 0 23 43 1 0 25 44 1 0 25 45 1 0 M CHG 1 7 1 M END