HMDB0287105 RDKit 3D PC(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/20:1(11Z)) 143142 0 0 0 0 0 0 0 0999 V2000 2.7160 -5.4030 -5.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -5.5174 -6.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -6.2896 -5.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 -5.8354 -5.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -4.4902 -5.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4385 -4.6824 -6.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6339 -4.2732 -6.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9179 -3.5390 -5.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5215 -2.2082 -5.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0051 -1.0816 -4.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -0.9385 -4.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 -0.2933 -2.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2411 0.8270 -2.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 1.5633 -3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 2.6878 -3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0606 3.5080 -4.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 4.8714 -4.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 3.5216 -3.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 2.2833 -3.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0201 1.1153 -3.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 1.3084 -1.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 2.3763 -1.1723 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 0.3027 -0.7893 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9285 0.3873 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 0.5816 1.0339 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1932 -0.6379 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 -1.7706 1.0764 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 -3.2135 0.6603 P 0 0 0 0 0 5 0 0 0 0 0 0 5.3243 -3.5630 1.6836 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0399 -3.1422 -0.8468 O 0 0 0 0 0 1 0 0 0 0 0 0 3.1325 -4.4931 0.6736 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 -4.5543 1.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -5.6462 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -5.5396 1.0010 N 0 0 0 0 0 4 0 0 0 0 0 0 0.2528 -4.2342 0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6976 -6.4842 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 -5.9808 1.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 0.5513 2.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 1.6154 3.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2401 2.6270 2.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9342 1.5735 4.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 1.9748 5.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 3.3931 5.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1472 3.6758 6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 5.0547 6.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 5.2447 4.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 6.6476 4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 6.8074 3.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 5.9213 3.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 6.1183 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 5.1619 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8011 3.7671 1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9884 2.8460 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 1.4064 1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1851 1.2664 2.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8967 -0.1958 3.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -0.2031 4.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0731 -1.5847 4.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -1.4719 6.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5692 -5.0378 -6.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -6.4255 -5.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 -4.7696 -4.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8062 -6.1396 -7.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 -4.5178 -6.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -7.3152 -5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3569 -6.4896 -4.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 -3.8963 -6.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 -3.9756 -4.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -5.2231 -7.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4913 -4.4708 -6.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1137 -3.4852 -4.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 -4.0879 -4.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5023 -2.1558 -5.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -0.1346 -5.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0459 -0.4230 -4.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 -1.9175 -4.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4873 -0.8083 -2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 1.2388 -1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2399 1.2248 -4.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 3.0389 -2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1249 3.2092 -5.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 5.3187 -3.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7151 4.0899 -2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 4.2392 -4.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 2.5119 -3.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 1.9593 -5.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 0.5966 -3.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 0.3415 -3.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5803 -0.5644 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2892 1.1842 1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 1.5151 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 -0.6055 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 -0.6437 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0986 -3.5719 2.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 -4.8187 2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0088 -6.6115 1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9896 -5.6085 2.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9314 -4.1057 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -4.1716 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3334 -3.4141 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 -6.4645 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 -6.2397 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 -7.5216 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 -5.3731 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 -7.0535 1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -5.8449 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8258 2.1500 5.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2093 0.5030 4.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 1.9013 6.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8756 1.3323 5.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0257 3.6054 4.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 4.0753 5.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 3.5602 7.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4115 2.8832 6.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 5.8419 6.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1954 5.2556 6.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 5.1740 3.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 4.4810 4.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 7.4138 4.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 6.7828 5.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4576 7.8451 2.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 6.4167 2.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3175 4.8893 3.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 6.3393 3.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 7.1436 1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6031 5.4417 -0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 3.5997 1.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 3.4548 0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 2.9059 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8075 3.1608 1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9935 0.9492 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6314 0.7818 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 1.8137 2.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9723 1.6290 3.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 -0.6646 2.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 -0.7567 3.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 0.2582 5.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4679 0.4002 4.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 -2.1625 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -2.0874 4.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 -0.4358 6.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4882 -1.6967 6.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1359 -2.1487 7.1062 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 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 1 0 45 46 1 0 46 47 1 0 47 48 1 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 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 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 0 24 90 1 0 25 91 1 6 26 92 1 0 26 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 35 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 37106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 M CHG 2 30 -1 34 1 M END