HMDB0279994 RDKit 3D PIP(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 148148 0 0 0 0 0 0 0 0999 V2000 3.4173 -4.8682 -3.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 -4.3965 -4.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -5.5412 -4.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -5.2253 -5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 -3.9939 -5.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1828 -3.6767 -6.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4652 -3.6752 -6.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 -3.9839 -5.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7505 -4.3909 -3.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8637 -3.7472 -2.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -2.4704 -2.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -2.7063 -1.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8688 -2.0326 -0.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9528 -0.9155 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 0.2561 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8766 0.8668 1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 0.4643 2.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 1.6946 2.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 2.1764 1.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 1.2314 0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 0.1317 1.5051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 1.5476 -0.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3044 1.0157 -0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -0.1958 -1.7222 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2198 -1.4544 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 -1.7195 -0.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5314 -3.1575 0.7515 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1455 -4.2599 -0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9784 -3.6481 1.5035 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6665 -2.9049 1.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 -3.8268 2.9527 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3393 -3.1349 4.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8493 -2.4501 4.4696 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 -2.2554 4.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4715 -1.4334 5.5611 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7444 -3.1650 4.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8857 -2.3604 4.5295 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8634 -4.2476 3.6065 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7904 -3.9310 2.6031 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 -4.9674 2.6714 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.8048 -4.8539 4.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2201 -4.5267 1.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -6.5563 2.5017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6096 -4.7590 3.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 -5.9804 3.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -0.4591 -2.5155 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -0.2628 -3.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0315 0.1382 -4.3572 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3189 -0.5129 -4.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2761 0.6246 -4.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 1.9655 -5.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 3.0136 -4.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 4.0257 -3.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5173 5.0202 -3.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 6.0074 -2.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 6.2172 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9827 6.3371 -2.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 5.2608 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 5.2416 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7514 5.5379 1.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 5.9596 1.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7467 7.2711 2.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 7.3774 3.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 6.3427 4.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 6.0048 5.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 5.4462 5.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.1262 4.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5613 3.6126 4.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 -5.3938 -2.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 -4.0041 -2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2157 -5.5203 -3.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9187 -3.5484 -3.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 -4.0534 -5.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -6.3952 -4.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9775 -5.7379 -3.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 -6.0856 -6.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -4.9349 -6.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4978 -4.0178 -4.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 -3.1524 -5.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 -3.4066 -7.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9975 -3.3871 -7.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 -3.1405 -5.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0669 -4.8316 -5.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 -5.3590 -3.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4025 -4.1240 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9133 -1.7024 -2.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1239 -2.1305 -3.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4569 -3.5068 -1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6904 -2.2528 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4265 -1.2777 0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -0.5866 -1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4806 0.5686 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5587 1.7199 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 -0.3455 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7069 0.3103 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9218 2.4909 3.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5317 1.4383 3.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 2.4214 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 3.1368 1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7674 1.8011 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 0.7387 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 0.0587 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 -1.5465 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 -2.3519 -1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -4.2683 0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 -4.4385 2.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -3.9465 5.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.0673 3.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7243 -1.6711 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0579 -0.6439 5.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -3.5540 5.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 -2.2867 3.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 -5.1231 4.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6983 -3.7090 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5149 -6.7570 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8309 -5.0572 1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3082 -5.9224 4.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -1.4776 -4.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0128 -0.6405 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 0.7670 -3.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 0.3749 -5.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 1.9272 -6.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 2.2044 -4.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 2.9829 -5.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5144 3.9980 -3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4713 4.9166 -4.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1821 6.7338 -2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 7.2370 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 6.1684 -2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 4.2102 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8856 5.4817 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 4.9500 -0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 5.4758 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9901 5.2593 2.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7348 6.2909 1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 8.1022 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 8.3675 4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 5.4181 4.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 6.7481 5.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3459 6.8836 6.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 5.2687 6.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1433 5.2485 6.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9085 6.1567 4.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 3.3361 5.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 4.1605 3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 2.9149 4.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3814 3.0142 3.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2256 4.4530 3.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 2 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 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 38 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 44 31 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 23100 1 0 23101 1 0 24102 1 6 25103 1 0 25104 1 0 29105 1 0 31106 1 6 32107 1 0 33108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 1 42114 1 0 43115 1 0 44116 1 0 45117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 56128 1 0 57129 1 0 58130 1 0 58131 1 0 59132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 63137 1 0 64138 1 0 64139 1 0 65140 1 0 65141 1 0 66142 1 0 66143 1 0 67144 1 0 67145 1 0 68146 1 0 68147 1 0 68148 1 0 M END