HMDB0278581 RDKit 3D PIP(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 140140 0 0 0 0 0 0 0 0999 V2000 -5.2982 1.6809 -2.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 1.3066 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 -0.0023 -0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9158 -0.9996 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 -0.9809 -0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0899 -2.3021 -1.0857 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 -0.3437 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 -0.4827 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 -1.1293 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0863 -1.2807 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 -1.9145 -0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 -2.4501 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 -2.0034 2.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5348 -1.1025 2.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 -0.2778 1.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1651 1.1604 1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4818 2.0700 2.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4729 1.7730 3.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 2.3312 2.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 3.8073 2.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9162 4.4158 1.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 5.6632 2.1834 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 3.7866 1.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 4.4420 0.7505 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4690 3.8908 1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5236 4.0905 2.7422 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 3.6555 3.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 3.0886 2.7408 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 3.8617 4.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9102 2.9944 5.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 1.5421 5.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8273 0.7443 4.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0479 -0.7300 4.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 -1.6318 3.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0129 -3.1023 4.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 -3.8992 2.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 -4.8069 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8825 -5.1486 3.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 -4.8457 3.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 -5.1241 4.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 -4.3182 5.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -4.5886 6.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 -3.7180 7.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 4.4638 -0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2447 3.1967 -1.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 3.1728 -2.9532 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2673 2.2476 -3.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 4.7853 -3.4586 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2632 2.6462 -3.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1831 2.0732 -4.7485 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9589 2.8590 -5.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 3.4349 -6.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 2.0265 -6.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 2.7794 -7.6703 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 0.7439 -7.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 -0.1335 -7.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4039 0.0670 -6.1390 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7393 -1.3022 -6.0739 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 -2.3018 -6.5651 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2621 -2.7992 -7.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 -1.4705 -6.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5067 -3.6804 -5.5732 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 0.6248 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 0.4665 -4.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8698 2.5384 -2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4433 0.7762 -2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2947 1.9448 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6154 2.0776 -0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3356 1.4030 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7981 -0.1049 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2971 -1.9327 0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 -0.4635 -1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9312 -2.4860 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5403 -0.9648 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 0.6943 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 -0.0865 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 -1.4865 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2685 -0.8834 -1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 -1.9983 -0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -2.5680 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 -3.6049 1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -2.5074 3.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8861 -0.9684 3.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3752 -0.4908 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 -0.6488 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8893 1.6387 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6974 3.1518 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 0.7079 3.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7156 2.2938 4.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 1.8629 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3473 2.0801 3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0574 4.1996 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2346 4.2296 3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 5.5393 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3808 4.3258 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 2.7791 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 3.9621 5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3424 4.9263 5.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 3.2378 5.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 3.3890 6.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 1.1005 6.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1088 1.2898 6.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4612 0.8850 3.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7537 0.7504 4.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1154 -0.7748 5.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 -0.9567 5.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 -1.4341 2.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 -1.5025 3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0677 -3.1979 4.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3233 -3.2497 4.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -3.7688 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -5.3795 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9588 -6.2658 4.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 -4.6145 4.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -3.7869 3.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 -5.4462 2.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -4.9657 3.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 -6.2161 4.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 -3.2432 5.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 -4.5917 6.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -4.2435 6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -5.6454 6.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9839 -4.3561 8.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 -3.2141 8.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6842 -2.9150 7.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 5.0638 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 5.0269 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 5.0407 -4.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8956 2.0906 -5.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 3.6565 -5.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 3.5950 -6.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9183 1.8842 -5.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9462 2.2270 -8.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 0.9299 -8.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -1.0560 -7.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 0.1939 -6.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7106 -2.0103 -6.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 -3.5889 -4.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.0532 -4.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -0.4858 -4.3918 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 24 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 59 62 1 0 57 63 1 0 63 64 1 0 63 50 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 48128 1 0 50129 1 6 51130 1 0 52131 1 0 53132 1 0 54133 1 0 55134 1 0 56135 1 0 57136 1 6 61137 1 0 62138 1 0 63139 1 0 64140 1 0 M END