HMDB0286169 RDKit 3D PC(17:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 136135 0 0 0 0 0 0 0 0999 V2000 -7.3127 0.9298 1.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9462 0.7909 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1724 2.0468 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2385 2.7084 -1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8394 2.2424 -1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 1.9976 -2.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4724 2.5854 -3.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 3.6326 -2.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6058 4.2861 -1.5136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5672 4.2236 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3123 3.4827 -0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7547 4.4952 -1.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 4.5826 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 3.6014 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 3.7654 1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 2.9156 2.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2434 1.6397 2.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 3.0419 2.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1399 2.5623 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8881 2.6442 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 1.5039 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 1.7235 -0.9228 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2591 0.2973 0.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 -0.9021 0.2392 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4683 -1.5890 1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8525 -2.8720 1.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -3.6924 2.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 -3.2028 3.6229 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0876 -5.0256 2.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6312 -5.1283 2.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7659 -4.4361 1.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -4.6142 2.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6081 -4.0035 1.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3268 -2.5000 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 -1.8395 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 -0.4115 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 0.5950 0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5141 0.5782 2.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8448 1.8654 2.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 2.0500 3.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 3.3508 4.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0096 3.4294 4.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4524 4.6530 5.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 5.9026 4.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3902 -1.9081 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5486 -1.4164 -1.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 -2.5178 -2.8383 P 0 0 0 0 0 5 0 0 0 0 0 0 7.8345 -2.0556 -3.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -4.0589 -2.1738 O 0 0 0 0 0 1 0 0 0 0 0 0 5.6599 -2.5512 -4.3814 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2753 -2.4062 -4.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 -2.4255 -5.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1841 -2.2845 -5.4604 N 0 0 0 0 0 4 0 0 0 0 0 0 1.7994 -1.3593 -4.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 -3.5484 -5.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -1.7899 -6.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6538 -0.0242 2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4552 1.2867 2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1777 1.6305 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0418 0.2342 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7709 0.0838 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2238 2.4160 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4705 3.6535 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7069 1.2548 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2509 2.9299 -0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 1.1914 -3.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3215 2.2062 -4.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 3.3260 -3.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7064 4.5263 -3.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4628 4.9118 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6182 4.7353 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 2.8675 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 2.8199 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6369 5.2865 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5636 5.4064 -0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4529 2.7865 0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8918 4.6168 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 3.4090 3.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 1.6322 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 2.4909 3.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4329 4.1109 2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1505 3.0915 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4716 1.4749 1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7970 2.3585 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5163 3.5868 -0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6124 -0.8591 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8131 -1.0157 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 -1.6911 2.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 -5.5745 1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 -5.6348 3.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4349 -4.6163 3.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 -6.1481 2.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9814 -4.9043 0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 -3.3803 1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -4.0447 3.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -5.6866 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 -4.1873 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4154 -4.4910 0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 -2.4476 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -2.0679 2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0366 -2.3312 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3215 -2.1388 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 -0.2964 -0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 -0.0575 -1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3578 0.6719 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 1.6107 0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 0.4959 2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8871 -0.2101 2.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 2.7515 2.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 1.8985 3.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9153 2.0700 2.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6495 1.2308 3.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1402 4.2123 3.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0297 3.3356 5.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4755 3.4842 3.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3813 2.4979 4.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1382 4.7250 6.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5861 4.6382 5.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0122 5.6573 3.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0607 6.2731 4.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8504 6.6583 4.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7581 -2.8226 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3329 -2.1601 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -3.2476 -3.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1411 -1.4476 -3.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 -3.3540 -6.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0306 -1.5557 -6.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -0.4023 -4.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 -1.8146 -3.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6996 -1.1612 -4.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9913 -4.4074 -5.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -3.4275 -5.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 -3.6637 -4.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 -1.7653 -6.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 -2.5060 -7.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 -0.7998 -6.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 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 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 49 -1 53 1 M END