HMDB0001512 RDKit 3D Thiamine triphosphate 50 51 0 0 0 0 0 0 0 0999 V2000 7.6523 -1.3655 2.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5933 -0.7058 1.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 -0.8962 0.4909 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7818 -0.3144 -0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 0.5337 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0049 1.2304 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 1.4094 -0.6969 N 0 0 0 0 0 4 0 0 0 0 0 0 2.0953 2.7022 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4362 2.5927 -0.8338 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 0.9020 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 0.1077 -1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 -0.4254 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7092 -1.1490 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1782 -0.4423 -1.2741 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3835 0.1147 -2.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1215 0.9448 -0.2913 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5439 -1.3716 -0.9622 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8931 -0.3373 -1.2855 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.4025 1.1113 -1.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5178 -0.7065 -2.7909 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0205 -0.5374 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3992 0.2433 1.3077 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.0895 1.6898 1.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9793 -0.5247 1.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5037 0.2062 2.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6453 0.5275 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -0.9745 -1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 0.6999 1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 1.4732 2.0344 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 0.0829 2.3346 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5869 -1.4009 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3193 -2.3784 2.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9313 -0.7828 3.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -0.4555 -1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5354 2.2074 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1568 0.7269 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 3.5582 -0.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5068 -0.7239 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 0.7933 -2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 -1.1880 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 0.2934 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 0.7087 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5977 0.1118 -3.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9534 -1.4672 1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9497 0.5113 3.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 -1.1940 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -1.3898 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 -1.4655 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7767 0.9879 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 2.4623 2.2945 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 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 10 26 2 0 26 27 1 0 5 28 1 0 28 29 1 0 28 30 2 0 30 2 1 0 26 7 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 6 35 1 0 6 36 1 0 8 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 16 42 1 0 20 43 1 0 24 44 1 0 25 45 1 0 27 46 1 0 27 47 1 0 27 48 1 0 29 49 1 0 29 50 1 0 M CHG 1 7 1 M END