HMDB0008662 RDKit 3D PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) 142141 0 0 0 0 0 0 0 0999 V2000 5.7149 8.3133 -5.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 8.4067 -4.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 8.1587 -5.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 8.2302 -3.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 7.3304 -2.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4308 7.3028 -1.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3054 7.6616 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 8.1146 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 7.4319 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 6.3122 1.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 5.4416 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7034 5.2729 2.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 4.1057 2.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3465 2.8704 2.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 2.3135 3.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 1.1326 4.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.2344 3.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 -0.0625 4.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 -1.2487 5.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3759 -2.4455 4.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -3.0389 5.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8387 -4.2470 5.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0745 -4.6970 4.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9151 -4.8589 6.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 -5.9986 5.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 -5.7339 4.5326 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5320 -4.5438 4.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2726 -4.1724 3.6422 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -2.8179 4.0955 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2974 -1.8280 4.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 -3.2989 5.2214 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9200 -2.0674 2.7836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5095 -0.7483 2.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 -0.2018 1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 1.1713 1.1255 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6582 1.7339 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 1.2968 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 1.9904 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4955 -6.8099 4.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 -7.5740 2.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 -7.2325 2.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2017 -8.6368 2.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2181 -9.3233 1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6166 -8.5239 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7873 -7.3676 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3281 -6.6803 -1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3504 -5.5448 -1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8215 -4.8142 -2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 -3.6637 -3.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5198 -3.0037 -4.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2367 -1.8797 -4.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2156 -0.6529 -5.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5615 -0.3017 -4.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 0.2942 -5.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7925 0.5715 -4.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8264 1.1807 -5.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0915 1.4139 -4.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1362 2.0206 -5.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 8.9192 -5.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1612 8.5798 -6.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0922 7.2486 -5.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0009 9.4591 -4.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 7.7560 -3.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 8.9882 -5.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 7.2434 -5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 8.0981 -4.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3218 9.3240 -3.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 7.5065 -2.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1684 6.2358 -3.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4123 6.9467 -2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2762 7.6015 0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 9.1433 0.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 8.5404 -0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4684 7.9906 1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9467 5.9712 2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2471 4.4373 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 5.6831 0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1986 6.1867 2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 3.9490 3.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 2.9120 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2430 2.2488 2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 2.9882 4.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2648 0.7422 4.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 -0.7276 3.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 0.5454 2.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3698 0.7810 4.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8343 -1.3933 5.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 -3.2114 4.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8321 -2.3964 3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 -2.3013 6.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 -3.3476 6.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4714 -6.1673 6.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 -6.8394 5.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0689 -5.6200 3.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -4.8095 5.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 -3.6581 5.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.7657 2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7501 -0.2232 3.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9412 -0.8223 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3129 -0.3061 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 1.1146 -0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0293 1.9216 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0763 2.7463 0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 1.2485 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 2.1685 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 0.3837 0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9499 1.6298 2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 3.0277 1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1872 1.9347 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 -9.4278 3.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 -8.2203 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9202 -10.2094 1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2194 -9.8386 1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 -8.1248 0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7933 -9.2172 -0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 -7.5940 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9397 -6.5475 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3483 -6.3228 -1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -7.4254 -2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 -6.0323 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3455 -4.9021 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 -4.4593 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8725 -5.5263 -3.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -4.0837 -3.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2484 -2.9691 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 -2.8705 -4.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 -3.8322 -5.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2663 -2.0695 -5.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 0.1638 -5.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 -1.0419 -3.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 0.5681 -3.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 -0.3213 -6.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1215 1.2966 -5.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5905 1.2424 -4.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1959 -0.4066 -4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0291 0.5379 -6.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4207 2.1530 -6.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8812 2.0100 -4.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4683 0.4116 -4.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5837 1.3137 -6.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9762 2.3367 -5.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7738 2.8964 -6.4606 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 2 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 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 6 27 95 1 0 27 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 38109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 2 31 -1 35 1 M END