HMDB0006744 RDKit 3D 3-Carboxy-1-hydroxypropylthiamine diphosphate 58 59 0 0 0 0 0 0 0 0999 V2000 -5.3754 4.8155 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6009 3.5319 -2.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 3.1781 -2.8146 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9185 2.0337 -2.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 1.1418 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4396 -0.0639 -1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3023 -0.0125 -0.4826 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.4421 -0.4002 0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 -1.0411 1.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8695 -0.1488 2.5705 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9441 -2.2394 2.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 -3.2414 1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1863 -3.8932 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 -3.6514 0.3549 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6127 -4.8160 -0.4256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -0.1335 1.4974 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8807 0.4734 0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 0.9197 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 0.2455 1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 0.6546 0.9129 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4634 -0.0089 2.0775 P 0 0 0 0 0 5 0 0 0 0 0 0 5.0590 0.5826 3.4276 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 -1.6756 2.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0504 0.5044 1.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8158 -0.4398 0.6134 P 0 0 0 0 0 5 0 0 0 0 0 0 6.9184 -0.7168 -0.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2083 0.3382 0.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3016 -1.9366 1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 0.4408 -0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2385 0.8797 -2.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2646 1.5303 -0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8068 0.7808 0.2914 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9211 2.7091 -1.0217 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0386 4.6130 -3.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6653 5.6073 -2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9327 5.0731 -1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 1.8165 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 -0.4124 -2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1175 -0.9178 -1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3602 -1.4362 0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0468 0.3114 2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 -1.8755 3.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7365 -2.7527 2.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9182 -4.0567 2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 -2.8675 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 -5.7027 -0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 0.5837 -1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3239 1.9955 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0874 -0.8502 0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 0.5166 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7854 -2.0068 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0518 0.6589 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5433 -2.5473 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 0.2682 -3.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0701 1.9685 -2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 0.6942 -2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1981 -0.1904 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8446 1.1682 1.2552 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 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 8 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 17 29 2 0 29 30 1 0 5 31 1 0 31 32 1 0 31 33 2 0 33 2 1 0 29 7 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 6 38 1 0 6 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 15 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 23 51 1 0 27 52 1 0 28 53 1 0 30 54 1 0 30 55 1 0 30 56 1 0 32 57 1 0 32 58 1 0 M CHG 1 7 1 M END