HMDB0287256 RDKit 3D PC(20:4(5Z,8Z,11Z,14Z)-OH(17)/20:3(5Z,8Z,11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 -2.3511 -5.3536 1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1033 -4.5930 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3994 -3.9355 2.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 -2.8285 2.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 -3.2202 3.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9543 -2.1285 4.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 -1.5897 5.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9424 -2.6426 6.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 -2.0849 7.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 -2.4350 8.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 -3.4431 7.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 -2.9190 7.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 -2.7434 6.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1882 -2.9906 4.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 -4.0330 4.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -3.7486 3.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9245 -2.4315 2.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4439 -2.2053 1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 -3.1204 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3567 -2.6413 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 -1.3131 -1.0589 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 -3.2158 -2.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -2.4785 -3.2841 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0106 -3.0270 -3.5145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 -2.4212 -4.3245 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1075 -2.1300 -5.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -2.4749 -6.4791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3483 -1.3548 -6.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2684 -1.1789 -4.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 -0.3045 -3.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 1.0398 -4.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 2.0774 -3.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8806 1.9353 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2695 2.3597 -2.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8676 3.3026 -1.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 4.0607 -0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2168 5.5478 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7134 6.3542 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2888 6.2567 0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5026 5.1002 1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8904 4.8711 2.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 5.7837 3.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 6.3083 4.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5356 6.9603 4.7396 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2912 7.3864 5.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8837 6.8761 5.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 8.0776 5.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2463 -2.4611 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5148 -1.8953 -4.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 -1.7966 -5.6564 P 0 0 0 0 0 5 0 0 0 0 0 0 6.8677 -1.7019 -5.4613 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0043 -3.1683 -6.5545 O 0 0 0 0 0 1 0 0 0 0 0 0 4.7969 -0.4379 -6.5383 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5426 0.5028 -5.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8709 1.7541 -5.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 2.6304 -6.8844 N 0 0 0 0 0 4 0 0 0 0 0 0 5.5396 3.4644 -6.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 3.6196 -7.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8448 2.0726 -8.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 -4.8237 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 -5.6774 2.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 -6.3097 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 -5.2707 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3924 -3.8524 0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -3.6433 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1459 -4.7986 2.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3094 -2.3405 3.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3245 -2.0508 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0648 -3.4913 2.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 -4.1389 4.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1673 -1.2948 3.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9847 -2.4505 4.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -0.8265 5.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.0651 5.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4022 -3.5143 6.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 -3.0572 6.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 -1.2919 8.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2663 -1.9440 9.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4275 -3.9958 6.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -4.2543 8.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 -2.6490 8.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 -2.3389 6.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -3.4368 5.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1325 -2.1152 4.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 -5.0796 4.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 -4.5920 2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -2.3013 2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6714 -1.5674 3.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 -2.1106 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -1.1629 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0452 -3.0989 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -4.1569 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 -1.4333 -2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 -3.2272 -2.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 -4.1416 -3.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 -0.4194 -6.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 -1.9867 -6.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 -0.5815 -5.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 -2.1085 -4.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 -0.4780 -2.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 -0.6875 -3.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 1.1884 -5.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 3.0941 -4.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3738 2.5163 -1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 0.9188 -2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 1.8291 -3.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 3.5521 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6959 3.8958 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1073 3.7881 -0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 5.8124 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6629 7.4610 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3765 6.7968 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8402 7.1117 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 4.3234 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1011 3.9544 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 6.6238 2.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 5.1153 3.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 5.5049 5.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2615 6.2442 4.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5865 7.9143 6.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2929 8.0954 4.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 6.5714 4.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7763 6.0855 6.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 8.9239 5.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 8.3032 6.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0487 7.8874 5.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4877 -3.4788 -4.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 -1.8718 -5.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9816 0.0236 -4.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 0.7093 -5.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 2.3410 -4.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 1.5651 -6.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4288 2.8412 -6.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8633 4.1353 -7.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1827 4.1037 -5.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 4.3303 -7.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1884 4.1831 -6.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4739 3.0734 -7.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 1.1384 -8.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9862 1.9814 -8.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5576 2.7840 -8.6833 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 1 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 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 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 1 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 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 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END