HMDB0010113 RDKit 3D PIP2(18:3(9Z,12Z,15Z)/18:1(9Z)) 148148 0 0 0 0 0 0 0 0999 V2000 0.3761 -0.9259 4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 -2.0995 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 -1.5802 2.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2003 -1.9702 1.9945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8105 -3.0773 2.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0003 -2.5349 3.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1971 -3.0047 3.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4936 -4.1144 2.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4583 -3.7001 1.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1734 -3.7224 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 -4.1409 -0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2513 -3.0270 -1.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1431 -2.6701 -2.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5759 -1.5651 -3.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5381 -1.3234 -4.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1417 -0.2941 -5.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 1.0847 -5.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9616 1.3698 -4.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3396 2.0442 -3.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6688 1.0098 -4.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 1.2143 -3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5086 0.6783 -1.9111 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5573 1.0493 -0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 2.3809 -0.5883 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 2.6625 0.5742 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3590 1.3251 1.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0422 3.5888 -0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2389 3.5071 1.8961 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 4.8933 1.8139 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2362 5.2903 3.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4914 4.2319 3.8821 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5009 6.3570 3.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1064 6.8214 4.8954 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2492 7.4686 2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2648 7.4436 1.7854 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0043 8.9149 1.5396 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.3771 8.6524 0.9223 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1727 9.8948 0.4487 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2588 9.7829 2.9512 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 6.9732 1.9949 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8683 7.1493 2.8374 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 8.2339 2.2006 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4714 9.4031 3.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3328 8.7611 0.7023 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7683 7.5247 1.9609 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0752 5.5142 1.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 4.7539 2.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2294 1.0755 -1.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 0.1797 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 -1.0429 -0.9264 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 0.6409 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -0.5034 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9414 -0.1506 1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 0.3122 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 -0.5998 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9751 -1.1128 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 -2.0567 -2.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3262 -2.6204 -3.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1251 -3.9360 -4.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 -4.9433 -3.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5632 -5.9125 -3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 -6.9324 -2.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4360 -6.2824 -1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -7.3110 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2806 -6.5365 1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6751 -7.4283 2.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4866 -8.2640 2.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 -1.2912 4.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -0.2387 3.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5532 -0.4155 4.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4048 -2.8740 3.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -2.3926 2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 -0.7464 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -1.4579 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0918 -3.4170 3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -3.9440 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7997 -1.6937 4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0454 -2.5374 3.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 -4.7601 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1464 -4.8272 2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4514 -3.3625 1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9478 -3.4088 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1548 -4.5679 0.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1453 -4.9419 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 -3.3887 -1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -2.1484 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1866 -2.4161 -2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2525 -3.5617 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -1.8361 -3.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5789 -0.6602 -2.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5759 -1.1060 -4.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 -2.3392 -5.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2073 -0.6417 -6.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9365 -0.2796 -6.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8068 1.7663 -5.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 1.4212 -4.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 2.3611 -3.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6288 0.9972 -3.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -0.4327 -1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 0.5160 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 0.5639 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8786 3.0759 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0035 5.0553 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2246 5.7173 2.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8474 4.1702 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5216 5.9008 4.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4918 6.9662 5.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0806 8.4399 3.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 10.5763 0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9347 9.3002 3.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8335 7.6080 1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 8.0833 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 7.3738 1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7385 5.3704 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 4.4857 1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7475 1.4539 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6404 0.9742 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -1.3927 -0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9408 -0.7797 1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 0.5661 1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 -1.0920 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 0.7087 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 1.3004 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -1.5438 -0.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 -0.1180 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1146 -1.7472 -1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -0.2692 -2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 -1.3482 -2.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3213 -2.7618 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -1.9284 -4.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6552 -4.1942 -4.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -4.5588 -2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5719 -5.5901 -2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2380 -6.4760 -4.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4657 -5.3268 -3.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 -7.5040 -2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6429 -7.6925 -2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6669 -5.6451 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -5.6819 -1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6062 -7.9283 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9199 -7.9207 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4383 -5.8870 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1202 -5.8809 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4788 -8.1315 1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9576 -6.8092 3.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7421 -8.6872 3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5909 -7.6110 2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 -9.0817 1.9553 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 34 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 22 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 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 46 29 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 6 23100 1 0 23101 1 0 27102 1 0 29103 1 6 30104 1 0 31105 1 0 32106 1 0 33107 1 0 34108 1 0 38109 1 0 39110 1 0 40111 1 6 44112 1 0 45113 1 0 46114 1 0 47115 1 0 51116 1 0 51117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 59131 1 0 60132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 62137 1 0 63138 1 0 63139 1 0 64140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 66145 1 0 67146 1 0 67147 1 0 67148 1 0 M END