HMDB0013646 RDKit 3D Adenosine thiamine triphosphate 79 83 0 0 0 0 0 0 0 0999 V2000 -11.1478 -0.3332 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4849 -0.0518 -1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1163 1.2425 -1.5084 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4786 1.5947 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1609 0.6258 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2536 1.1213 1.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8708 0.8102 1.0773 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.6479 0.8838 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0893 0.2373 -0.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7715 -0.1084 1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5008 -0.5154 1.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 0.2937 1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -0.1434 -0.3026 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -0.5226 -0.7527 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2194 0.6080 -1.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1671 -1.6363 -2.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -1.5060 0.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 -0.8826 1.5591 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3002 -1.1917 3.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 -1.7488 1.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 0.7608 1.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 1.1660 0.7698 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1542 2.2868 -0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4082 1.7335 2.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1404 -0.1174 0.0404 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3184 0.1829 -1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7347 0.4989 -1.3669 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6788 -0.3804 -0.8042 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 0.6289 -0.4977 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8617 0.2875 0.0449 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3138 0.6058 1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5736 0.1525 1.3992 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9492 -0.4564 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1297 -1.0991 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2469 -1.2082 0.6958 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0947 -1.5952 -1.3919 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0356 -1.5153 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9010 -0.8956 -1.8186 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8768 -0.3680 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 1.4961 -1.7493 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8844 1.4510 -2.4214 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5124 0.9233 -2.5614 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9682 -0.2265 -3.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9314 0.3109 1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0342 0.1816 3.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5338 -0.6515 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3229 -1.6355 1.3734 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2040 -0.9670 -0.7998 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3344 -0.6579 -3.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5225 0.6073 -3.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8627 -1.1530 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1543 2.6066 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3934 0.4847 2.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3622 2.1674 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3084 1.2763 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4128 -0.2045 2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2912 -1.6074 1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5382 0.3712 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9224 1.3498 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -2.4436 -1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8834 -2.5548 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 0.9036 2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0631 -0.7071 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 1.0794 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 1.4469 -0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0744 1.2704 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7758 1.1451 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9932 -0.5064 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 -2.0093 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1655 -1.9772 -3.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4239 2.5375 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5440 2.0239 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 1.6829 -3.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 -1.0289 -2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0391 0.2715 3.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6638 0.9611 3.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3571 -0.8580 3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8006 -1.5265 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7395 -2.4624 1.2377 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 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 29 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 10 44 2 0 44 45 1 0 5 46 1 0 46 47 1 0 46 48 2 0 48 2 1 0 44 7 1 0 42 27 1 0 39 30 1 0 39 33 1 0 1 49 1 0 1 50 1 0 1 51 1 0 4 52 1 0 6 53 1 0 6 54 1 0 8 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 16 60 1 0 20 61 1 0 24 62 1 0 26 63 1 0 26 64 1 0 27 65 1 1 29 66 1 1 31 67 1 0 35 68 1 0 35 69 1 0 37 70 1 0 40 71 1 1 41 72 1 0 42 73 1 6 43 74 1 0 45 75 1 0 45 76 1 0 45 77 1 0 47 78 1 0 47 79 1 0 M CHG 1 7 1 M END