HMDB0010136 RDKit 3D PIP2(20:4(8Z,11Z,14Z,17Z)/16:0) 148148 0 0 0 0 0 0 0 0999 V2000 -4.4633 -3.5012 7.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2601 -5.0299 7.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8271 -5.2894 7.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2531 -6.0005 6.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9763 -6.6450 5.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -8.1089 5.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1564 -8.8821 4.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5956 -8.4327 3.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2961 -9.1851 2.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9749 -8.6277 1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1311 -7.1711 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6028 -6.9105 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2372 -6.3655 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6394 -5.9311 -1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 -4.4764 -1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4496 -3.5206 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 -3.5307 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6005 -2.4680 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -2.4896 1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7584 -1.3955 2.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 -0.5912 2.6605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5114 -1.2793 2.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0221 -0.3148 3.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3546 1.0186 3.0465 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2998 1.6665 2.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1424 0.9487 0.9947 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 1.5586 -0.0958 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3499 1.4922 0.4797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 3.1570 -0.5229 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 0.6024 -1.4932 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 1.0410 -2.3082 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4171 0.1794 -1.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1783 -0.5934 -0.8471 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 -0.7326 -3.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 -1.9711 -2.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 -0.9857 -4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 -1.4241 -3.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 -2.9936 -4.0391 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1851 -3.4249 -5.1798 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -2.9466 -4.5835 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 -4.1142 -2.7773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 0.4076 -4.7217 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1767 0.3001 -5.8765 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5769 0.9957 -7.2103 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7560 1.8547 -6.8407 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5642 1.9710 -8.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 -0.2469 -8.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 1.1412 -3.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2697 2.4753 -4.1315 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 0.9611 2.1621 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6069 1.7177 2.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 2.4306 3.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8322 1.7287 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7882 2.8324 0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6614 4.1945 1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 5.2218 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4794 6.6248 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 6.8874 1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 6.7378 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 7.6884 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2936 7.3707 -0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0868 8.3073 -1.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 8.2998 -3.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9733 7.0922 -3.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 6.4018 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2182 5.7790 -3.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 5.0927 -4.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3066 -3.1930 8.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6468 -3.2114 6.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5303 -3.0005 7.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 -5.3086 8.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 -5.4194 6.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1449 -4.8804 8.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1581 -6.1780 6.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -6.2468 4.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0807 -6.5139 5.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 -8.5842 6.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0239 -9.9813 4.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5636 -7.3698 3.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5244 -8.8620 3.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 -10.3004 2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4873 -9.2579 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 -6.5585 2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6349 -6.7991 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1382 -7.1976 2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3185 -6.2204 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 -6.4969 -1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -6.2148 -1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0332 -4.3450 -1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4961 -4.1485 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7741 -2.4924 -0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9922 -3.6471 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 -3.1910 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5196 -4.4816 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 -2.6566 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9531 -1.5098 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 -2.3640 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8074 -3.4679 1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9707 -0.7592 4.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -0.2788 4.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 1.7002 3.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 1.8643 2.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7032 2.6747 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0476 3.3942 -1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 2.0606 -1.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3112 0.8134 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6581 -1.4580 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 -0.2911 -3.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2381 -1.8951 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3025 -1.6795 -4.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8379 -3.6504 -4.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -3.7664 -2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.9430 -4.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4165 1.4396 -8.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -1.1426 -7.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 0.7665 -3.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 2.9143 -3.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9619 0.7763 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7446 1.8601 2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 2.7463 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 2.6705 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 4.3748 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7548 4.1579 1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8266 4.9120 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5803 5.1544 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4114 6.8905 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4358 7.2931 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 6.2953 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 7.9462 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 5.7035 0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 6.8602 1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 8.7340 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3669 7.5357 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3105 6.3153 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 7.3893 -0.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 9.3774 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1463 8.2523 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 9.0653 -3.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7577 8.8381 -2.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 7.3693 -4.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5744 6.3015 -3.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6293 7.1361 -5.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 5.6017 -5.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7993 6.4410 -3.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 4.9606 -3.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7304 4.2813 -4.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7053 4.6228 -5.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 5.8636 -5.1440 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 36 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 42 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 2 0 51 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 1 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 48 31 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 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 1 25102 1 0 25103 1 0 29104 1 0 31105 1 1 32106 1 0 33107 1 0 34108 1 0 35109 1 0 36110 1 0 40111 1 0 41112 1 0 42113 1 6 46114 1 0 47115 1 0 48116 1 0 49117 1 0 53118 1 0 53119 1 0 54120 1 0 54121 1 0 55122 1 0 55123 1 0 56124 1 0 56125 1 0 57126 1 0 57127 1 0 58128 1 0 58129 1 0 59130 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