HMDB0273039 RDKit 3D PGP(18:3(6Z,9Z,12Z)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 134133 0 0 0 0 0 0 0 0999 V2000 13.3453 5.5848 4.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8074 4.3787 3.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3027 4.3422 2.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8130 4.3135 2.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4398 4.2795 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9921 4.2386 0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3414 3.2805 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0190 2.1353 -0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3393 1.1780 -1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8979 1.1390 -1.3220 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5045 -0.2078 -1.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5102 1.3516 -2.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8931 2.6100 -3.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0716 3.4910 -3.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 3.4324 -3.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 2.3516 -3.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 1.5145 -3.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3933 0.4476 -3.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6421 0.5362 -1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -0.5486 -0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5546 -0.7128 -1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.0604 -1.8293 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 -1.6642 -0.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -2.0173 -0.2107 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1162 -1.6530 1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -2.1541 0.9982 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -1.8737 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0963 -1.0749 -0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7248 -2.4952 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6117 -2.0492 -0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9797 -0.5536 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6735 -0.2201 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2171 1.0819 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2664 2.1565 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 2.3924 -1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7101 2.7035 -2.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9780 2.7462 -2.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9659 2.5104 -1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7935 3.7492 -1.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9851 4.4144 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4218 4.0655 1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6025 3.8610 2.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4326 5.1020 2.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6490 6.2929 2.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0598 6.0739 4.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 -3.4164 -0.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 -4.3974 0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3883 -5.8853 -0.6060 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5251 -5.7374 -1.6234 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 -6.3997 -1.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7542 -7.0518 0.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4939 -8.3021 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -9.4002 0.9397 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1790 -9.3157 1.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 -10.7605 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 -11.7851 1.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 -13.2755 0.3650 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1246 -14.1102 0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -14.1201 1.1425 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4749 -13.0063 -1.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2044 6.2897 4.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5790 6.1619 4.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9930 5.2953 5.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9205 4.3506 3.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5033 3.4405 4.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6866 5.1951 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6970 3.4074 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3307 5.1827 2.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3455 3.4060 2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8427 5.2546 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9975 3.4877 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3906 5.0781 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2465 3.3936 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 2.0340 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9708 0.3533 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3445 1.7239 -0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 -0.8108 -1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6102 0.8400 -3.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2977 0.5995 -3.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9935 2.8772 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5530 4.4290 -4.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1671 4.4424 -3.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 3.4508 -5.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9562 2.2358 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9761 1.5877 -5.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -0.5644 -3.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 0.4044 -3.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 1.5282 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 0.3926 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.3185 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -1.5158 -1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 -1.3577 -1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6167 -2.0353 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1676 -0.5311 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6357 -3.6281 0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -2.3271 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6102 -2.5669 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2188 -2.2784 -1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0172 -0.0485 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6801 -0.4615 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4385 -1.0488 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9042 -0.4205 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6965 1.2364 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7227 3.0469 0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1621 3.3826 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9639 1.7230 -1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1985 2.9420 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4465 3.0241 -3.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7046 1.7584 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6346 2.1420 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3054 4.1578 -2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6283 5.3370 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8267 3.1540 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8080 4.8930 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1895 3.5361 3.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1982 3.0398 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9251 5.3067 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2266 4.8755 2.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8294 6.5669 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3195 7.1732 2.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6729 5.3915 4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9922 5.7831 4.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0795 7.0638 4.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 -3.5526 -1.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7448 -3.5974 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2568 -5.6298 -2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 -8.3900 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5979 -8.3324 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1922 -9.3547 1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 -8.3572 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2589 -10.7296 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 -10.8570 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 -14.7517 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 -12.4164 -1.3692 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 2 0 9 10 1 0 10 11 1 0 10 12 1 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 1 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 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 45121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 52127 1 0 52128 1 0 53129 1 1 54130 1 0 55131 1 0 55132 1 0 59133 1 0 60134 1 0 M END