HMDB0291911 RDKit 3D CDP-DG(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)-OH(20)) 156157 0 0 0 0 0 0 0 0999 V2000 -10.9687 1.9789 -1.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8014 2.8124 -2.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6141 2.7286 -1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4683 3.5687 -2.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3241 3.4257 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0908 4.2457 -1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0273 3.9742 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 4.6886 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8092 6.1415 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4067 7.0065 -1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7532 6.6927 -2.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3862 7.2984 -2.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7275 6.6887 -2.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8441 5.2207 -3.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 5.3186 -4.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 4.7995 -4.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 3.9832 -4.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 2.6787 -4.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6197 1.6830 -4.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6055 0.9598 -3.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8729 1.2710 -2.3085 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 -0.1114 -3.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7618 -1.0485 -2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5367 -1.8399 -1.7955 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9741 -3.1670 -1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 -3.9064 -0.9095 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -5.4200 -0.2856 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8342 -6.4606 -1.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 -5.5464 0.2459 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -5.7294 0.9882 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 -5.5474 0.5562 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9372 -6.8216 -0.0853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -4.3244 -0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5573 -5.2314 1.9317 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4009 -6.2160 2.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1881 -5.9108 3.4285 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8688 -4.6954 3.3736 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8826 -4.8154 4.3321 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8390 -3.7520 4.2212 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 -3.9636 4.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0276 -2.8949 4.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -1.6262 4.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4138 -0.4915 3.9142 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2107 -1.4243 4.0174 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -2.4945 4.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 -2.2210 4.1131 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4537 -6.1787 4.0127 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0957 -6.7326 5.1203 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -6.9621 3.6313 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8287 -7.7209 4.7469 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8196 -2.1268 -2.9977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4784 -1.8154 -3.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0486 -1.3576 -1.8708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5399 -1.9428 -4.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1385 -1.5429 -3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0172 -0.1595 -3.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 0.2286 -2.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 0.4471 -1.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 0.3513 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 1.6153 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 2.2079 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 1.6803 0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 1.4039 1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 1.9057 2.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1664 2.8186 1.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 2.4333 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1508 1.3312 1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6886 0.0795 1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5175 -0.3194 3.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -1.6066 3.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5591 -1.5740 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 -0.6174 5.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 -0.6564 5.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9396 1.9850 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8530 0.9141 -2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9174 2.3673 -2.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5708 2.3716 -3.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1698 3.8348 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9429 3.0782 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3380 1.6637 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2618 3.1797 -3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8018 4.6025 -2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0444 2.3815 -0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6689 3.8554 -0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3873 5.3090 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7832 3.9532 -2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7797 2.8660 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4406 4.0508 0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0891 4.3442 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 4.3161 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 6.5103 0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 8.1103 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7164 5.6559 -2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3023 7.3103 -3.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 8.3834 -2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 7.2403 -2.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 4.6877 -2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 4.8110 -3.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8351 5.8984 -5.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 4.9606 -6.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 3.7662 -3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4926 4.4825 -4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9067 3.0117 -5.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6286 2.2314 -5.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7064 2.0850 -4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 0.8436 -5.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2356 -0.5459 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -1.7330 -2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 -1.3255 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 -3.6342 -1.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4221 -2.9019 -0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2352 -4.8042 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4381 -4.5073 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 -6.3701 1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1243 -7.1925 2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 -5.8566 4.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -4.8525 5.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5379 -4.9815 4.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1146 -3.0429 4.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3363 0.3008 4.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1343 -0.4848 3.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1103 -6.1325 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8802 -7.2571 4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 -7.6001 2.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1765 -7.2880 5.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -3.0057 -4.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 -1.3465 -4.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4327 -1.5322 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3653 -2.3276 -3.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 0.5145 -4.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6409 0.1242 -2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 0.3311 -3.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 0.7577 -1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.1126 -0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -0.3735 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 2.0818 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1647 3.1500 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1376 2.5070 -0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 0.8129 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 0.7060 2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 1.6486 3.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.7131 2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 3.3004 0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1004 3.2703 0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 1.3369 0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6538 0.0133 2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 -0.7498 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5617 -0.5155 2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5424 0.4937 3.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6412 -2.0227 4.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 -2.3367 2.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8343 -1.3777 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 -2.5923 4.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 -1.0047 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6345 0.4051 4.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 -0.3793 6.4401 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 38 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 49 36 1 0 45 39 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 6 86 1 0 7 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 23107 1 0 23108 1 0 24109 1 1 25110 1 0 25111 1 0 29112 1 0 33113 1 0 35114 1 0 35115 1 0 36116 1 1 38117 1 1 40118 1 0 41119 1 0 43120 1 0 43121 1 0 47122 1 6 48123 1 0 49124 1 6 50125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 58133 1 0 59134 1 0 59135 1 0 60136 1 0 61137 1 0 62138 1 0 62139 1 0 63140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 67145 1 0 68146 1 0 68147 1 0 69148 1 0 69149 1 0 70150 1 0 70151 1 0 71152 1 0 71153 1 0 72154 1 0 72155 1 0 73156 1 0 M END