HMDB0003904 RDKit 3D 2-(a-Hydroxyethyl)thiamine diphosphate 52 53 0 0 0 0 0 0 0 0999 V2000 -3.5184 3.6600 2.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2364 2.5969 1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 1.7619 1.6856 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9246 0.7969 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7287 0.6299 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -0.3864 -1.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3311 -1.2158 -1.0784 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.4739 -2.3318 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7001 -2.9329 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1202 -4.1874 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -3.3094 1.5728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -2.9660 -0.2654 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 -1.7614 -1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 -1.6376 -1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 -0.5826 -0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3627 -0.5339 -1.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1778 0.6415 -0.1453 P 0 0 0 0 0 5 0 0 0 0 0 0 6.6417 0.2736 -0.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9485 2.1713 -0.8046 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 0.5942 1.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 1.3787 2.5337 P 0 0 0 0 0 5 0 0 0 0 0 0 6.8608 1.5648 2.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5451 0.4227 3.9326 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8223 2.8833 2.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.9124 -1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1776 0.3243 -2.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8043 1.4810 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6763 1.3491 -1.5725 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0351 2.4442 0.4964 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4371 4.6798 2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5629 3.5689 2.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 3.5575 3.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 0.1496 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 -1.0611 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 0.1228 -2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5421 -2.2488 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -4.0175 -1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 -4.2804 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6466 -5.0966 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 -4.1489 1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 -1.3303 -2.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8012 -2.6287 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5743 0.4077 -0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -0.8504 0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 2.2713 -1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 0.8920 4.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 3.2253 2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 0.6415 -2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 0.1679 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 1.1667 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5444 1.9736 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4133 0.6212 -1.4985 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 9 11 1 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 17 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 13 25 2 0 25 26 1 0 5 27 1 0 27 28 1 0 27 29 2 0 29 2 1 0 25 7 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 6 34 1 0 6 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 19 45 1 0 23 46 1 0 24 47 1 0 26 48 1 0 26 49 1 0 26 50 1 0 28 51 1 0 28 52 1 0 M CHG 1 7 1 M END