HMDB0286083 RDKit 3D PC(16:1(9Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 136135 0 0 0 0 0 0 0 0999 V2000 -6.8928 -5.7652 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0209 -5.0062 1.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9887 -4.1344 1.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 -3.8567 1.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -4.3094 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9464 -3.0431 -0.6596 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1897 -2.4712 -0.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3578 -3.4107 -1.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1095 -3.0266 -2.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 -3.4130 -3.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -3.0780 -3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -2.2964 -3.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -1.9868 -3.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 -1.2104 -2.8328 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9672 -1.3894 -3.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 -1.4858 -1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0626 -2.8956 -1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 -3.6922 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 -3.2468 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1683 -3.5057 1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -2.5851 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 -1.1261 2.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -0.4796 3.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 0.9881 2.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 1.7093 3.8407 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 1.6533 1.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 3.0243 1.8663 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4193 3.5703 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 3.4058 0.5779 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 3.9275 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9862 4.5040 -1.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 3.8696 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9207 3.0306 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5882 1.5634 0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 0.9615 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 1.1340 -1.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 0.5307 -2.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0714 0.8220 -3.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5197 0.3063 -4.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4789 -0.5805 -4.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2032 -1.1476 -3.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7016 -0.9183 -3.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1338 0.4959 -3.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7347 1.3192 -2.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2760 0.7593 -0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7718 1.7258 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 3.4798 2.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9489 3.1159 3.2797 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 3.5950 3.5230 P 0 0 0 0 0 5 0 0 0 0 0 0 7.2330 3.5764 2.1862 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6088 5.2170 4.0660 O 0 0 0 0 0 1 0 0 0 0 0 0 7.3645 2.6069 4.6026 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4361 1.9568 4.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 1.0921 4.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7004 1.7925 6.1146 N 0 0 0 0 0 4 0 0 0 0 0 0 8.6689 1.8542 7.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1151 3.1403 5.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8345 1.0942 6.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8502 -6.4180 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8943 -5.1812 -0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1189 -6.5498 0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2395 -5.7840 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0148 -4.4181 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2276 -3.6076 2.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2107 -3.1249 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -5.0012 -0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 -4.6643 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3445 -2.3271 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7414 -2.3639 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9432 -3.9896 -2.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6096 -2.4533 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 -4.0113 -4.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -3.4082 -4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -1.9502 -2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -2.3507 -4.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 -0.1247 -2.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -0.5349 -3.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0049 -0.9934 -0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 -0.9343 -1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0041 -3.3371 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 -4.7510 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2716 -3.9921 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7954 -2.2356 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3183 -4.5582 1.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 -2.8883 3.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.7328 2.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 -0.7856 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 -0.7750 4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0795 -0.8300 2.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 3.5672 2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7997 2.9674 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 4.6297 0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 3.4760 -1.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6258 4.8920 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0008 3.1647 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 3.3560 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2758 1.0508 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 1.3752 0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 1.4232 -1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -0.1238 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 2.2186 -1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8987 0.6503 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 0.9774 -3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 -0.5669 -2.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5594 0.4673 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 1.9588 -3.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0348 0.6716 -5.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7947 -0.9539 -5.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1103 -2.2817 -3.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8293 -0.9651 -2.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1292 -1.4398 -2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1196 -1.4259 -4.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2451 0.5095 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7844 1.0036 -4.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2268 2.3263 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6789 1.5219 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7954 -0.2122 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3693 0.7413 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7377 2.0855 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6827 1.2365 1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4081 2.6359 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 2.9476 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5587 4.5638 1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 1.2512 3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0889 2.6132 3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4398 0.3064 5.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 0.5554 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2912 2.8884 7.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0601 1.5435 8.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 1.1716 6.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7067 3.2596 4.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7901 3.4322 6.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2488 3.8322 5.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8042 1.4168 6.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6759 -0.0026 6.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 1.3959 7.7793 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 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 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 2 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 27 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 1 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 1 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 27 90 1 1 28 91 1 0 28 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 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 46121 1 0 47122 1 0 47123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 56128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 M CHG 2 51 -1 55 1 M END