HMDB0044171 RDKit 3D TG(16:0/20:3(5Z,8Z,11Z)/16:1(9Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -5.1900 0.8617 -5.8189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8327 0.9584 -6.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7051 1.0533 -5.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6624 -0.1292 -4.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 -1.4338 -5.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -2.5515 -4.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 -3.8610 -4.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4849 -4.7101 -4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2758 -4.6041 -3.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 -5.7454 -2.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8342 -5.9245 -1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 -4.8823 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -4.4306 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -3.4812 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2486 -2.8641 2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2421 -2.0629 2.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4602 -2.1481 2.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 -1.2652 3.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 -0.5532 4.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 0.4946 3.8827 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8920 0.8922 4.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8471 1.5311 3.8269 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4831 0.9788 2.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 -0.1831 2.3713 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5476 1.7291 1.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 0.9553 0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 0.8943 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1484 0.0499 -1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 0.2125 -2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 -0.6369 -3.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 -0.3271 -4.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0068 0.8014 -5.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 2.1507 -5.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 2.3473 -4.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2086 3.8033 -4.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6736 3.8167 -4.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2949 5.0893 -3.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1519 6.2506 -4.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 6.7427 -4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 1.5448 3.3955 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 1.8694 2.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9871 1.0921 1.2057 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 3.0589 1.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6613 2.9966 2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4468 1.8045 1.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5188 1.8148 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5872 1.8798 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9433 1.9560 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 0.8676 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 0.0382 0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3073 0.0981 1.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6141 0.3420 2.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1734 -0.4255 3.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 -1.6302 4.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5942 -2.4123 4.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3569 -1.9244 4.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5591 -1.6870 6.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 -1.1952 6.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 0.0961 6.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 0.5327 6.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0984 1.8447 6.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2097 0.8564 -4.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 -0.0324 -6.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8048 1.7257 -6.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 0.0832 -7.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7865 1.8661 -7.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8517 1.9653 -4.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 1.1226 -5.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6209 -0.1339 -3.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8536 -0.0112 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 -1.4226 -5.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3312 -1.5994 -5.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4575 -2.5221 -3.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7139 -2.2935 -3.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2749 -4.1143 -5.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5604 -5.6798 -5.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6732 -4.7508 -4.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2012 -3.6237 -3.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 -6.6718 -3.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 -5.7116 -2.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 -6.2014 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 -6.8931 -1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5845 -3.9273 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 -5.2003 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -5.3555 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6365 -4.0071 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4035 -2.6380 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9409 -3.9725 1.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 -2.1393 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 -3.6250 2.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 -0.0324 5.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5634 -1.3112 5.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 -0.0701 2.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 0.0330 5.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5754 1.6727 5.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4074 1.8977 2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1786 2.7185 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8584 1.4788 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -0.0457 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 0.4809 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6066 1.9359 -0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2777 -0.9972 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0672 0.4144 -1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 -0.1759 -1.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 1.2664 -2.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9431 -1.7037 -3.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -0.6165 -4.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9537 -0.2533 -3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7311 -1.2663 -5.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6884 0.4768 -6.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 0.8661 -5.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1864 2.8317 -5.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 2.5906 -4.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 2.1914 -5.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3956 1.7058 -4.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8566 4.3787 -5.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6563 4.0679 -3.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8892 3.0390 -3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2289 3.5056 -5.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9215 5.3226 -2.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3976 4.8635 -3.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8077 7.0742 -4.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6126 5.9768 -5.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 6.5541 -5.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7322 7.8670 -4.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0073 6.3554 -4.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 3.2385 0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 3.9393 2.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6577 3.0246 3.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 3.9455 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 1.8189 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 0.8608 2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.7581 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4115 1.8772 -1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3724 2.9270 -0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 2.1193 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9364 0.7736 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0549 -0.7477 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 0.7910 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 -0.9172 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0951 1.3021 2.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2131 -0.0031 3.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 -1.5104 5.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6386 -2.4474 3.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3227 -2.9078 3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8603 -3.3608 4.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 -2.7266 4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9402 -1.0542 4.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4255 -1.0698 6.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7605 -2.6842 6.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3162 -1.1339 7.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4899 -1.9740 6.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4712 -0.0586 5.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4773 0.9439 6.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -0.1937 6.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6851 0.6489 8.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3939 1.6218 5.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 2.3197 5.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 2.5552 7.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 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 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 20 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 19 91 1 0 19 92 1 0 20 93 1 6 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 61159 1 0 M END