HMDB0116498 RDKit 3D PGP(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) 135134 0 0 0 0 0 0 0 0999 V2000 5.1274 -2.0734 -3.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -0.6754 -2.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 0.3240 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4709 1.2198 -4.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 1.5190 -5.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 0.7276 -5.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 1.1648 -4.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 2.5945 -4.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8948 2.8262 -3.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 3.5875 -2.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 4.5324 -2.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2661 4.6311 -3.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5421 4.4467 -2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 4.1269 -1.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 4.1548 -0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 3.2216 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9400 1.8297 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 0.9408 0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 1.1602 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 0.2647 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3145 0.3465 -0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7998 -0.5543 -0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 -0.9699 0.6902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8368 -0.9927 -1.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8371 -1.8167 -0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8568 -1.2717 0.0907 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9373 -0.4798 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0366 -0.2868 0.2047 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2129 0.5733 -0.6161 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.5420 0.3248 0.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3456 0.0310 -2.2233 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9226 2.2189 -0.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0425 2.9889 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7017 4.4708 -0.9086 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1856 4.8195 0.3191 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6856 4.7871 -1.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4995 4.0789 -1.7949 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4599 4.5190 -3.0549 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7439 5.9893 -3.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6909 3.5577 -4.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 4.4447 -2.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3998 -0.6098 1.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6617 -1.0324 2.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 -2.0887 2.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 -0.2684 3.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -0.1354 3.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 -1.3592 4.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2683 -2.1221 5.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3513 -3.3178 5.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -4.1554 6.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 -5.2845 6.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 -4.5596 6.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5487 -4.6359 5.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 -5.4507 3.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8757 -4.6263 2.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4757 -5.5692 1.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1129 -4.8963 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2123 -4.0731 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6793 -3.4743 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2929 -2.7815 -3.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 -2.3083 -2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5096 -2.0457 -4.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5312 -0.5981 -3.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 -0.6381 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5016 0.2936 -2.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 1.8801 -4.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 1.4274 -6.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 2.6266 -5.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2293 -0.3882 -5.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 0.4659 -4.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8214 2.7538 -5.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 3.2622 -5.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 2.1666 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2938 3.5659 -1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 5.5670 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 4.4323 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 4.9829 -4.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2234 4.5522 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1286 4.9004 -1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8793 3.1765 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 5.1830 -0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 3.5116 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3241 1.5852 -0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7512 1.5709 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -0.1487 0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3935 1.0652 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 2.2090 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9188 1.0592 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0899 0.5257 1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8441 -0.7706 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 0.0559 -1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1171 1.3500 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 -2.1945 -1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.7816 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4649 -2.1735 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4995 0.4771 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1952 -1.0701 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4944 0.1772 -2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8423 2.8632 -0.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4743 2.7183 -1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6188 5.0428 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2733 4.0705 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4374 5.8625 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0459 4.5382 -2.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8709 3.5654 -4.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2081 4.5741 -3.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7222 -0.6473 4.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6381 0.7708 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 0.4166 2.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 0.5820 4.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 -1.0440 4.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9703 -2.0619 3.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0811 -1.5087 6.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3009 -2.4593 5.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -4.0175 4.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 -3.0400 5.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 -4.6227 6.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1495 -3.5851 7.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5845 -5.9215 7.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 -5.7625 5.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 -3.9262 6.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 -4.0520 4.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 -6.0600 3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 -6.2130 4.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1073 -3.8557 2.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 -4.0947 2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5836 -6.1361 1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3353 -6.2712 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2523 -4.1972 0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -5.6736 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 -3.2292 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0475 -4.7439 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -3.8937 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6273 -3.8152 -1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6404 -2.3760 -1.6574 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 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 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 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 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 1 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 6 35102 1 0 36103 1 0 36104 1 0 40105 1 0 41106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 53122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 M END