HMDB0280145 RDKit 3D PIP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z)) 151151 0 0 0 0 0 0 0 0999 V2000 -7.3185 3.6822 3.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5306 2.7068 2.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5574 1.6253 2.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6569 1.3317 1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4667 2.0472 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0807 2.5242 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5536 3.6803 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1942 4.9765 -0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6227 5.0481 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 5.4558 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2224 5.9405 -2.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9062 5.0386 -3.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3548 4.4375 -4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9486 4.5322 -4.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2794 3.1441 -4.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9072 3.3725 -5.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 2.1290 -5.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7766 2.5799 -6.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1923 1.5633 -6.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8728 0.7780 -5.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3696 -0.2224 -4.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 1.1442 -4.9673 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 0.5851 -4.0656 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2934 1.4175 -2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 1.5514 -2.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8307 2.2023 -0.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 2.8082 -0.3897 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 2.1891 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2774 0.9883 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.3198 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 -1.4668 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 -2.4243 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 -2.4125 0.9121 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6483 -2.7091 1.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -3.5328 1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 -3.5538 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6141 -4.6250 1.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9187 -4.6836 1.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7182 -3.7126 1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7011 -2.9234 1.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9725 -2.8839 2.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3414 -3.6278 4.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7593 -3.4553 5.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1421 -4.1990 6.3873 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0204 -4.4826 7.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9304 -3.4833 6.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9292 -3.3141 5.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7297 -3.8239 5.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 -4.6457 7.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9737 -3.9209 7.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 0.0730 -4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9031 -0.4071 -3.3698 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 -1.0087 -3.5258 P 0 0 0 0 0 5 0 0 0 0 0 0 7.2424 -0.0289 -4.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4988 -2.5177 -4.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -1.0465 -2.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4467 -0.4114 -1.9999 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3490 0.9845 -1.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5683 1.6197 -1.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0537 0.9523 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7107 0.6891 0.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9136 -0.0326 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4309 -0.0714 2.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8995 -1.4091 0.2086 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5638 -1.8519 0.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3855 -3.2563 1.1063 P 0 0 0 0 0 5 0 0 0 0 0 0 8.6986 -3.5378 1.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0868 -4.5475 0.0611 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1671 -3.1014 2.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4177 -1.2611 -1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 -0.5371 -1.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6927 4.6899 3.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2456 3.7042 3.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8714 3.3647 4.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6626 3.1500 1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5691 2.2584 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6209 1.0347 3.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9444 0.4786 1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1895 2.7894 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5272 1.1883 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 1.6682 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 3.7245 -0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 5.4829 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6736 5.7114 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0597 4.7850 1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5364 5.4467 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8342 6.9091 -2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1777 6.1542 -2.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9900 4.8682 -3.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0080 3.7892 -4.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9246 4.9643 -5.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3596 5.2290 -4.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2781 2.8212 -3.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9014 2.4258 -5.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 3.8864 -6.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4181 4.1417 -4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 1.5915 -4.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 1.4653 -6.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3074 3.3547 -5.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1508 3.1563 -6.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3005 0.8191 -7.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9736 2.0298 -7.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4311 -0.3693 -3.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 2.3531 -3.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 0.8317 -2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 1.9746 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1109 3.1114 -0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 1.1001 -2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 1.0035 -0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4211 -0.3081 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5011 -0.4644 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -1.4859 -2.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2865 -3.2486 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -1.4797 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 -3.1789 0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0871 -4.3545 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 -2.7309 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 -5.4182 2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 -5.6029 2.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1005 -3.0234 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3177 -4.3449 0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3332 -2.2425 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7954 -2.1916 3.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5399 -4.3230 3.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5488 -2.7696 5.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7966 -5.1787 5.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8725 -5.3696 7.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5912 -3.9897 7.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 -2.4462 7.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2729 -2.6914 5.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0763 -3.6138 5.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 -5.6620 6.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -4.7939 7.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -3.7498 6.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 -2.9316 7.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5453 -4.4989 8.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1439 -0.7954 -5.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9043 0.8469 -5.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7253 -3.0818 -3.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8126 -0.2717 -3.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 1.4981 -1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5863 2.4915 -1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2671 1.9599 0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 1.5079 0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9585 0.3011 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7943 0.6615 2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5484 -2.0566 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 -4.9577 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7796 -4.0048 2.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5270 -2.2244 -1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1440 -0.8121 -0.3348 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 1 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 33 35 1 0 35 36 2 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 47 48 2 0 48 49 1 0 49 50 1 0 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 65 66 1 0 66 67 2 0 66 68 1 0 66 69 1 0 64 70 1 0 70 71 1 0 70 57 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 1 24104 1 0 24105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 32113 1 0 33114 1 1 34115 1 0 35116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 43125 1 0 44126 1 6 45127 1 0 46128 1 0 46129 1 0 47130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 55139 1 0 57140 1 6 58141 1 0 59142 1 0 60143 1 0 61144 1 0 62145 1 0 63146 1 0 64147 1 1 68148 1 0 69149 1 0 70150 1 0 71151 1 0 M END