HMDB0279000 RDKit 3D PIP(18:1(15Z)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 146146 0 0 0 0 0 0 0 0999 V2000 5.3737 -6.1054 5.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 -6.9101 5.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 -6.5721 6.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 -6.0055 6.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -5.6264 5.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3162 -4.1640 5.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -3.3465 4.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 -3.8519 3.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 -3.5345 1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 -2.8035 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5396 -2.1999 1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4191 -0.7142 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -0.0689 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0228 -0.7524 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6832 -0.0078 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6166 -0.6326 -2.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8849 -0.0522 -2.0885 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -0.4537 -3.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0647 -0.9590 -4.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8298 -0.3176 -3.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 -0.9001 -4.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5852 -1.7955 -5.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3395 -0.4645 -4.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0637 -0.8596 -4.3531 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1833 0.2584 -4.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 -0.3500 -5.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2307 0.2404 -5.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1544 1.4456 -5.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4911 -0.5520 -5.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6706 0.2386 -6.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9204 -0.6325 -6.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1713 -1.1770 -4.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3497 -0.0875 -3.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5566 -0.6840 -2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7446 0.3358 -1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5366 1.2221 -1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5835 2.2694 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6875 1.6739 1.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 0.8006 1.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 0.0849 2.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4643 0.7628 4.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 1.5942 4.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3092 1.3720 5.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1175 0.2281 6.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 0.6743 8.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -1.1756 -2.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 -0.0124 -2.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 -0.1190 -0.7206 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4753 -1.2015 0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9042 -0.4419 -0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0251 1.3426 0.1479 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1895 2.4313 -0.7322 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9317 3.5531 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 4.2903 -1.0855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0986 4.5005 0.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 5.8178 0.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3527 4.0896 0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 5.1801 1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9227 3.7500 -0.6005 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1977 3.1925 -0.4077 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 4.0616 -1.2765 P 0 0 0 0 0 5 0 0 0 0 0 0 5.7119 3.7795 -0.7199 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2913 3.5268 -2.8913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 5.7069 -1.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 2.8133 -1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 3.2906 -2.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -5.8311 6.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2385 -6.7286 5.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 -5.1384 5.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -8.0072 5.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7788 -6.8105 4.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 -6.8387 7.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 -5.8000 7.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 -6.1157 4.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -6.0831 5.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -3.7129 5.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7285 -2.2901 4.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 -4.9577 3.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -3.5330 3.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 -3.9622 1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -2.5945 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 -2.3354 2.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -2.5979 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 -0.1967 1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0173 1.0267 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2581 -1.7847 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 1.0606 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7843 -1.7223 -2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9050 0.2805 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1634 -1.0303 -4.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4986 0.6433 -4.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -2.0829 -4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1652 -0.9411 -5.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8992 0.7706 -4.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 -0.3722 -2.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 -1.6877 -5.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 0.5449 -5.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 1.1242 -4.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -0.9817 -4.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 -1.4084 -6.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5141 0.5175 -7.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8904 1.1455 -5.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 -0.0044 -6.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7879 -1.4552 -6.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4057 -1.8934 -4.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1533 -1.7412 -4.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4663 0.5684 -3.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2371 0.5294 -3.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4220 -1.3800 -2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6457 -1.2811 -1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6868 0.9060 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8430 -0.2312 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6153 0.6032 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4521 1.8009 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4935 2.8976 -0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6554 2.8503 -0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5557 2.6157 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6536 1.2388 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 0.0294 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 1.4000 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3337 -0.6941 2.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5640 -0.5919 2.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4842 1.3894 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1612 -0.0230 5.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7969 2.5121 4.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1282 2.0796 5.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3729 -0.5171 6.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1323 -0.2836 6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4309 1.7229 7.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0666 -0.0019 8.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7297 0.6797 8.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 -1.6186 -3.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 -1.8950 -2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3818 -0.3040 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8138 1.9968 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 3.1035 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 4.5211 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 4.5301 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8171 5.9308 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 3.2668 1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 5.9844 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 4.6883 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 2.9773 -3.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7411 6.1644 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 1.8675 -1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 4.0690 -2.6373 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 29 30 1 0 30 31 1 0 31 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 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 61 64 1 0 59 65 1 0 65 66 1 0 65 52 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 50134 1 0 52135 1 6 53136 1 0 54137 1 0 55138 1 0 56139 1 0 57140 1 0 58141 1 0 59142 1 6 63143 1 0 64144 1 0 65145 1 0 66146 1 0 M END