HMDB0287721 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 135134 0 0 0 0 0 0 0 0999 V2000 5.3004 -1.0179 -5.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0775 -1.5154 -6.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5536 -2.6974 -5.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 -2.8327 -5.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -1.7596 -5.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -2.1832 -6.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0515 -2.1554 -5.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 -1.7112 -4.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 -0.6427 -4.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1892 0.5390 -3.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.1309 -3.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 2.3542 -3.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 2.5764 -4.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 1.6806 -4.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 2.3959 -3.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 1.9786 -2.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0685 0.7736 -1.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 1.0250 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 1.6301 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 1.8323 1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0285 2.9009 2.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1683 0.8343 2.3837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8889 0.8646 3.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 -0.4564 4.0518 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6886 -0.5689 5.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -1.7710 5.5222 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3428 -2.0870 7.0597 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3164 -1.4829 8.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 -3.7676 7.2596 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1611 -1.4045 7.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0709 -1.7522 6.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3728 -1.0949 6.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4294 -1.3322 5.6604 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6847 -0.7714 6.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -0.6767 4.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6821 -2.7152 5.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -1.5688 3.7062 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 -2.3646 2.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 -2.0831 1.9722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 -3.5657 2.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -3.5096 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -3.4042 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 -4.5026 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 -4.4682 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 -3.3854 -0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 -3.2860 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8928 -2.2919 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -0.9749 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1841 -0.6058 2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 0.5277 2.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 1.5164 1.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8067 2.6268 2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 3.6822 1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 4.9540 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3504 4.6759 1.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1842 6.0992 0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0215 7.3592 1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2498 7.6566 2.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1495 8.3599 3.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 -0.7714 -6.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6757 -1.7580 -4.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0718 -0.0702 -5.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -0.6642 -6.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 -1.7864 -7.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2287 -3.5770 -5.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 -3.7985 -4.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1155 -1.4323 -4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -0.8799 -5.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2525 -2.5320 -7.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 -2.5073 -6.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4906 -1.5781 -3.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8785 -2.6070 -3.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 -0.9068 -4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 1.2836 -3.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 0.4664 -2.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 1.4821 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 3.1405 -3.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 3.5356 -4.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8828 1.4837 -5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 0.7149 -3.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 3.3463 -4.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2468 2.5927 -2.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 0.1048 -1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 0.1644 -2.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8981 1.7177 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 0.0495 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3237 2.5561 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8146 0.9004 0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 1.0195 4.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 1.6617 3.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2705 -0.3967 3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -0.6815 6.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 0.2762 5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -1.4106 5.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 -2.8423 6.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2372 0.0305 6.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7358 -1.3688 7.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 -1.1196 7.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 0.3407 6.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5320 -1.1661 5.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 0.3211 4.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0886 -0.5369 3.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4633 -1.2651 3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5586 -2.7468 4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9478 -3.3109 6.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8463 -3.1699 4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0573 -3.8578 2.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -4.4129 2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 -4.4734 0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6623 -2.6861 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5604 -3.3858 -1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 -2.3993 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 -5.5286 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1816 -5.4843 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -3.5806 -1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 -2.3984 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0151 -4.2429 -0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8663 -2.3894 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 -0.2641 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1806 -1.0018 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 -1.2700 2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6302 0.7392 3.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4316 1.3988 0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 2.7658 3.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4667 3.4032 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4689 3.8813 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6184 5.1450 2.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 3.7089 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7479 5.8701 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4452 8.1884 0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 6.8387 2.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4822 8.4486 2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 8.8776 2.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5983 7.6374 4.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5178 9.0372 3.9788 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 2 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 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 34 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 36106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 50122 1 0 51123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 55128 1 0 56129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 M CHG 2 29 -1 33 1 M END