HMDB0287250 RDKit 3D PC(20:4(6E,8Z,11Z,14Z)-OH(5S)/20:3(5Z,8Z,11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 -1.1464 -1.0613 -7.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 -1.9914 -6.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 -2.2287 -6.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 -0.9574 -6.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -1.3391 -6.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 -0.1425 -6.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 0.0521 -5.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.9526 -5.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -0.4150 -3.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -0.9017 -2.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0052 -2.0669 -2.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5565 -3.1102 -1.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 -3.5806 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 -3.0872 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 -3.6260 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -3.2555 1.3045 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1355 -4.1047 0.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8582 -3.4705 2.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 -3.1119 3.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 -1.6774 3.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8675 -1.1259 4.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -1.8344 4.8275 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 0.1576 3.8055 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3369 0.8620 4.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2965 1.1049 5.8554 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4498 2.1660 6.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 3.2189 5.2167 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1483 4.4953 5.1302 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6773 5.6987 5.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7147 4.1330 5.6333 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1713 4.9780 3.4878 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2381 5.7594 3.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1944 6.1277 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0259 6.8528 1.2841 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.8313 6.5500 2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7425 6.5049 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2858 8.3022 1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 1.7286 6.2511 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 1.2400 7.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 0.1830 7.8315 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.8874 7.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 2.8746 6.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5694 2.0826 5.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8943 2.9177 4.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 2.8229 3.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0022 1.8490 3.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 0.7862 2.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 0.4310 1.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3374 1.0411 1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6373 1.4703 -0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 1.0192 -1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 0.0499 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 0.6487 -1.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5654 -0.2965 -1.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -1.6193 -2.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5797 -2.4433 -2.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4709 -3.8018 -2.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2993 -4.5908 -2.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 -5.9371 -2.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 -1.4559 -8.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 -1.1302 -7.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 -0.0323 -7.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1088 -2.9410 -6.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 -1.5358 -5.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 -2.7889 -7.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2952 -2.8709 -5.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6866 -0.5622 -5.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 -0.2876 -7.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 -1.7887 -7.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4758 -2.1633 -6.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 0.6624 -7.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5944 1.0299 -6.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 -1.8532 -5.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6247 -1.1458 -5.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 0.4710 -3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 -0.4299 -1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8715 -2.5088 -3.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 -1.7649 -2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 -3.4991 -2.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4845 -4.3583 -0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 -2.3423 -0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -4.3917 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -2.2274 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 -4.8805 1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1924 -4.5081 3.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 -2.8273 3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -3.7515 3.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2457 -3.3659 4.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 -1.5002 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 -1.1115 3.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3198 1.8975 3.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 0.4511 4.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5015 0.2093 6.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4387 2.5095 7.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4122 1.7128 5.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2902 6.6591 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1686 5.1836 3.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0770 6.7412 1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2598 5.2102 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8361 6.8228 3.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5632 5.4713 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9971 7.1114 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5799 5.3931 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5976 6.7778 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 6.9496 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0820 8.4236 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 8.7833 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6014 8.6533 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 1.0627 7.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 2.3978 8.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 3.3753 6.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4171 3.6122 6.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 1.4281 5.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 1.3671 5.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1695 3.7191 3.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0637 3.5738 2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 1.4987 4.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 2.5196 3.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1636 0.1671 2.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -0.4494 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 1.9240 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 0.2752 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4351 2.1894 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2429 1.3653 -2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2955 -0.4361 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 -0.7528 -2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3017 0.9094 -2.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 1.5384 -1.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9136 -0.4202 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4374 0.1708 -2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 -1.3745 -3.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -2.0976 -2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -1.9123 -2.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8465 -2.5462 -1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2946 -3.6814 -3.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3762 -4.4171 -2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 -4.0796 -2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 -4.7238 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -6.2286 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 -6.6983 -2.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 -5.8640 -3.9140 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 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 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 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 16 83 1 1 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 24 91 1 0 24 92 1 0 25 93 1 1 26 94 1 0 26 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 35100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 30 -1 34 1 M END