HMDB0287512 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/20:4(5Z,8Z,11Z,14Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -8.3465 6.9180 4.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1436 6.9357 4.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0982 5.6024 3.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9233 5.5493 2.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8114 4.2220 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9638 3.9241 0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9811 3.7672 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9482 3.8262 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5939 4.1901 -1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5576 3.3898 -1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 2.0080 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5965 1.2188 -1.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 0.6888 -3.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8078 0.8048 -4.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 -0.3131 -4.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9951 -1.5279 -4.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 -2.0753 -3.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 -2.4989 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -3.0087 -1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -3.3341 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 -3.7511 1.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 -3.1610 0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4364 -3.4073 1.1949 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3407 -2.1299 1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2767 -2.1538 2.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0513 -1.0128 2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8397 -0.0390 1.9261 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 -0.9533 3.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.3774 4.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 1.4351 4.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5955 1.9448 3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 3.2189 3.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3381 4.3124 3.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8774 5.1012 2.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 4.9970 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7967 3.9961 0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6311 4.6070 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3907 4.4722 -1.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 3.7202 -2.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3935 2.6398 -2.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7343 1.3779 -2.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8967 0.8786 -1.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 -0.4101 -1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 -0.8232 -1.1913 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4577 -2.1980 -1.1001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5967 -0.3788 -2.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 -0.7732 -1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -4.5190 0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3327 -4.2790 -0.2254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 -5.6114 -0.4887 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0784 -5.4820 -1.8088 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4939 -7.0606 -0.5244 O 0 0 0 0 0 1 0 0 0 0 0 0 3.5223 -5.7360 0.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7666 -6.0433 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 -6.1387 1.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9217 -4.9103 2.0689 N 0 0 0 0 0 4 0 0 0 0 0 0 5.7528 -5.1760 3.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2703 -4.3789 1.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9899 -3.8844 1.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5997 8.0020 5.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1718 6.4543 5.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2417 6.4638 4.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1953 7.7556 3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2334 7.0645 4.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9686 4.8153 4.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0622 5.4120 2.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8974 6.3480 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9518 5.6220 3.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 4.2178 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7725 3.4502 2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9347 3.8245 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0359 3.5284 -0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3895 4.7050 -2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0809 2.9878 -2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3734 5.2537 -0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 3.8997 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9191 1.4713 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 1.8753 -2.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4133 1.0124 -1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7038 0.1321 -3.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4276 1.2346 -5.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1277 1.7028 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4093 -0.1142 -5.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3292 -2.2847 -4.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4535 -1.5487 -2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1171 -3.0922 -3.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1396 -1.5736 -1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0516 -3.2809 -2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2711 -2.1977 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1027 -3.8761 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 -3.7208 2.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8636 -1.8329 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -1.2609 1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 -1.5866 3.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7158 -1.5037 4.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5386 0.2684 4.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 0.7964 3.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 1.0244 5.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4495 2.2484 4.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7442 1.2818 3.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 3.4443 3.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9096 5.0449 4.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 3.9506 4.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 5.9501 2.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1694 5.7174 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 3.0784 1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 3.6089 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0978 5.2120 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 4.9641 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 3.3453 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 4.4347 -3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 2.8831 -3.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1101 0.5975 -3.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 1.5415 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 -1.1590 -2.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -0.3641 -0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 -2.5691 -1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 0.7282 -2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5199 -0.8417 -3.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8151 -1.7992 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7018 -0.6886 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9808 -0.1000 -0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 -4.6037 1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 -5.4604 0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 -7.1031 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 -5.4487 -0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5186 -6.9758 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7655 -6.4369 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7277 -5.5551 3.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 -6.0321 3.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 -4.3028 4.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9189 -4.7229 2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2215 -3.2604 1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -4.6653 0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -3.9251 2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4519 -2.8955 1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -3.8358 0.5572 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 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 2 0 43 44 1 0 44 45 1 0 44 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 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 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 1 24 92 1 0 24 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 43115 1 0 44116 1 1 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 57129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 52 -1 56 1 M END