HMDB0264634 RDKit 3D PA(20:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 130129 0 0 0 0 0 0 0 0999 V2000 -15.3096 3.2726 -1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4004 2.4113 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5613 1.1471 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1668 0.4654 -1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4013 -0.8213 -2.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9972 -0.5426 -2.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9841 -1.0247 -1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1371 -1.9176 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4793 -3.2738 -0.8843 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.7078 -3.9994 0.2891 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0632 -3.1893 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1825 -2.4252 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8011 -2.3880 -0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9146 -1.6706 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2682 -0.8492 0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5565 -1.2392 2.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8177 -0.3980 2.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5517 1.0138 2.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0444 1.1913 2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 2.6227 2.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 2.7646 1.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 3.9334 2.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3151 1.7661 1.6779 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1036 2.0324 1.6480 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6832 1.8052 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 0.5956 -0.3011 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 -0.5136 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.4786 0.9061 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -1.7441 -0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2107 -2.8762 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6685 -2.6158 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3821 -2.1918 -1.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 -1.9327 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1046 -0.8262 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 0.4749 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 1.1480 -1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3115 1.6520 -2.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4996 0.7582 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7473 1.5897 -2.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0009 0.7970 -2.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 0.1353 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4562 1.0676 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5276 2.0733 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9046 1.4720 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2283 0.6213 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6060 -0.0058 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6818 -0.9005 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.2695 2.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 -0.0587 2.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 -0.9325 4.1246 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1590 -1.0877 5.1652 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 -2.5057 3.5621 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3456 -0.2941 4.7534 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1600 3.0792 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3723 3.0221 -2.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2099 4.3546 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9840 2.8780 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4544 2.0686 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5409 1.4984 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6209 0.5365 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2398 0.2399 -1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1083 1.1056 -2.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6314 -1.5198 -1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8433 -1.2676 -3.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7411 0.1270 -3.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9373 -0.7794 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6413 -1.4808 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1603 -2.1333 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0283 -3.7802 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2430 -3.6107 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6478 -3.7306 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5635 -1.8895 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4837 -2.9942 -1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8653 -1.6517 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3586 -0.8061 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9939 0.2396 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6598 -2.2626 2.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3242 -0.7983 3.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7942 1.5868 3.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1124 1.4993 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 0.5661 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 0.8917 3.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 3.2236 2.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2106 3.0377 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 3.1540 1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 2.2826 0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1821 2.5111 -0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -2.0695 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 -1.4433 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -3.1009 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 -3.8017 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 -2.0250 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1263 -3.6409 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.0609 -2.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 -1.2966 -1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2453 -2.8753 -0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4329 -1.7816 -2.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -0.8005 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 -1.0989 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4014 0.4955 -0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 1.1968 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2043 2.0078 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 0.5090 -2.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4469 2.5450 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 2.2037 -3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3772 -0.0756 -2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5842 0.3349 -0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5634 2.0762 -3.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8082 2.3975 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8908 1.3452 -2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8725 -0.0421 -3.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2971 -0.3737 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5944 -0.6910 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4685 1.6049 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5744 0.5283 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 2.8111 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 2.6902 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9668 0.9199 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6643 2.2952 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4752 -0.1726 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2534 1.2238 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3762 0.7718 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7621 -0.6170 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8636 -0.3042 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5789 -1.5605 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8091 -1.5513 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7612 1.3634 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2604 1.7447 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -2.7318 2.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -0.5251 5.7374 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 44 45 1 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 6 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 1 25 86 1 0 25 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 52129 1 0 53130 1 0 M END