HMDB0278698 RDKit 3D PIP(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/16:2(9Z,12Z)) 141141 0 0 0 0 0 0 0 0999 V2000 3.0076 -6.5942 -5.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8321 -6.9524 -4.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -6.6964 -4.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 -5.8809 -4.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 -5.1129 -3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 -5.5211 -2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -6.0302 -1.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2418 -6.2905 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 -5.5827 0.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2738 -4.6881 1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3188 -4.2229 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -4.5334 0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -3.6438 1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 -2.2084 0.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3788 -1.4374 2.2653 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1928 -0.0790 1.9286 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6466 -1.5161 3.0159 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7603 -0.9884 2.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -1.1073 4.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 -1.8604 5.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 -2.0636 5.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3822 -0.9456 5.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 -0.2805 6.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5905 -0.5422 4.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 0.5371 4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0791 0.8169 3.1769 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8784 1.2782 2.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 1.4787 0.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0966 2.0534 -0.3224 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0157 3.5670 -0.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7253 1.6404 -0.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5435 1.4454 -1.7747 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 0.0804 -1.9228 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5822 -0.5949 -2.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6678 0.2265 -1.9681 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 -0.7872 -3.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0209 -0.7693 -4.1796 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 0.3018 -4.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 1.5613 -4.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 0.1616 -4.3055 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2651 1.2683 -4.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3721 0.8974 -5.9183 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7238 1.2437 -7.2359 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 -0.7591 -5.9348 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8267 1.7301 -5.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -0.1856 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 -1.5118 -2.8019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 1.7850 3.3807 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4236 1.4497 3.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5992 0.2305 2.7916 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5414 2.3616 3.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 3.1915 4.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6707 4.1020 4.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8543 5.2472 3.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9792 6.4130 3.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5683 6.5248 3.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 6.3621 2.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1576 5.0648 1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7756 4.8211 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4178 5.8750 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7251 5.8544 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3308 5.5923 -2.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 5.2808 -2.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3782 6.3462 -3.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 5.9716 -3.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -7.2469 -6.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0642 -5.5377 -5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 -6.9141 -4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -8.0836 -4.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 -6.5847 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 -7.2532 -5.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2914 -5.7524 -4.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 -5.1511 -2.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3477 -4.0161 -3.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 -5.3548 -2.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -6.3012 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -7.4074 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1135 -6.2822 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 -5.8373 1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 -4.2246 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -4.7337 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1268 -3.1663 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 -5.6018 1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 -4.0222 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2535 -1.7987 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 -1.9232 0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 -1.7344 2.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 0.2431 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9087 -2.6549 3.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8855 -1.3731 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 0.0191 4.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6403 -1.1746 4.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9959 -1.5223 6.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2381 -2.9125 5.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -2.6683 6.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0229 -2.8860 4.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 1.4600 4.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 0.2214 5.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 -0.1044 2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5574 0.4196 1.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4733 2.1478 2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.4091 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -0.3658 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -1.5942 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 0.1071 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -1.7396 -4.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1372 -1.4172 -4.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 0.1586 -5.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 2.2137 -4.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8696 -0.6797 -4.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5892 -0.9549 -5.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 1.3189 -4.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 0.4330 -2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -1.9298 -3.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7664 3.0064 2.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 1.7019 3.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6336 2.4287 5.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5303 3.6277 4.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6582 3.5175 4.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7466 4.5299 5.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9572 4.8441 2.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 5.6299 4.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1644 6.8605 4.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4686 7.2940 3.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 5.8609 4.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2379 7.5596 4.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 6.5213 2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2353 7.2397 1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 4.1803 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 3.7842 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5166 5.7082 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2886 6.9019 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6418 6.0799 -1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7719 5.5876 -3.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3339 5.1207 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8201 4.2854 -3.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9449 6.2856 -4.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2223 7.3512 -3.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4080 6.4435 -2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9584 4.8598 -3.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2688 6.2611 -4.7904 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 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 40 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 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 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 1 0 46 33 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 1 16 88 1 0 17 89 1 1 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 6 27100 1 0 27101 1 0 31102 1 0 33103 1 1 34104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 6 44111 1 0 45112 1 0 46113 1 0 47114 1 0 51115 1 0 51116 1 0 52117 1 0 52118 1 0 53119 1 0 53120 1 0 54121 1 0 54122 1 0 55123 1 0 55124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 58129 1 0 59130 1 0 60131 1 0 60132 1 0 61133 1 0 62134 1 0 63135 1 0 63136 1 0 64137 1 0 64138 1 0 65139 1 0 65140 1 0 65141 1 0 M END