HMDB0264684 RDKit 3D PA(20:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 133132 0 0 0 0 0 0 0 0999 V2000 2.5588 -6.0384 -3.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4979 -4.9593 -2.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1346 -4.3177 -4.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -4.3288 -4.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 -4.9279 -4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9117 -5.9803 -5.0018 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2741 -5.3575 -6.2246 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1866 -6.5082 -4.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1254 -5.6995 -3.9281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3596 -6.2371 -3.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3031 -5.5058 -2.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1893 -4.0517 -2.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2866 -3.5845 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 -2.7408 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2012 -2.2061 -1.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1388 -1.3270 -1.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1580 -0.7722 -2.4561 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0241 -1.2903 -3.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1921 0.7016 -2.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2276 1.4237 -2.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0747 0.8780 -3.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7855 1.2736 -2.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5792 0.6674 -3.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3282 1.0347 -2.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8407 2.1722 -3.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 0.2091 -1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4566 0.7307 -1.4330 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2863 -0.1833 -1.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 0.4230 -1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4189 1.5789 -1.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 2.0675 -2.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 2.2910 -1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2373 1.7979 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 0.3852 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 -0.0979 1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5237 -0.0699 2.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3272 -0.5481 3.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 -0.5844 4.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 0.5987 5.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.8317 5.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 2.5785 4.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 3.8656 5.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 4.6133 4.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1528 5.9197 4.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 6.7417 3.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9984 6.3241 2.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 6.1713 3.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4819 5.1891 4.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 3.7469 4.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2925 3.3293 3.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6070 0.8210 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8569 -0.4298 0.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -0.1957 2.3161 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0639 -1.5718 2.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6007 0.6275 2.8162 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3653 0.7257 2.7004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 -6.3632 -2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1168 -6.9040 -3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -5.5786 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -5.4238 -2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0391 -4.2387 -2.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -3.8099 -4.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2476 -3.8155 -5.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1637 -5.2900 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.0834 -4.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -6.7828 -5.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 -4.4227 -5.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 -7.5670 -4.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9259 -4.6434 -3.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4927 -7.3369 -3.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1927 -6.0493 -2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8797 -3.5174 -3.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 -3.7358 -3.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5522 -3.9673 -0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2506 -2.4206 0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2475 -2.4860 -2.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1288 -1.0346 -0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1934 -1.1170 -2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2785 -0.6581 -4.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0355 1.2337 -1.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3130 2.5226 -2.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0218 -0.1793 -3.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0050 1.4375 -4.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6450 2.3690 -2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7993 0.9555 -1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -0.4411 -3.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5628 0.9463 -4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 1.7448 -1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 -0.2711 -2.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3795 -1.1673 -1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3697 2.4126 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2824 3.3621 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1404 2.4372 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5516 1.9179 0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4495 0.3914 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 -0.2796 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 0.5362 1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7898 -1.1457 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 0.9560 2.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6295 -0.7174 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3368 -0.1549 3.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -1.6641 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7746 -1.3900 4.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2262 -1.0325 5.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 0.2614 6.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 0.9064 4.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 2.5744 6.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 1.5783 6.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 2.9106 3.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 2.0062 4.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 4.4325 5.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6887 3.6138 5.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 4.8686 3.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2345 4.0279 3.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 5.7648 5.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 6.5169 4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9671 7.0711 2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0401 7.7431 4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1775 7.1123 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8551 5.3991 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7127 7.1698 3.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0432 5.8909 2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9774 5.3816 5.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5941 5.2877 4.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6758 3.1722 5.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3355 3.3770 4.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 2.2408 3.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8501 3.4885 2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 3.8558 3.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3658 1.5860 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6275 1.1473 0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6413 1.5636 2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1064 0.1131 2.9081 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 47 48 1 0 48 49 1 0 49 50 1 0 27 51 1 0 51 52 1 0 52 53 1 0 53 54 2 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 6 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 1 18 79 1 0 19 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 27 88 1 6 28 89 1 0 28 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 55132 1 0 56133 1 0 M END