HMDB0280789 RDKit 3D PIP(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9,11,15)-OH(13)) 148148 0 0 0 0 0 0 0 0999 V2000 5.2233 4.7211 -4.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 5.1670 -3.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9071 4.0593 -2.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 3.5673 -2.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4955 4.0187 -2.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 3.3023 -3.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 2.1313 -4.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8889 1.2543 -4.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 0.9894 -5.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6170 -0.1822 -5.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -1.4327 -5.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4688 -2.2034 -4.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6754 -3.3861 -5.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -4.1343 -6.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 -5.4305 -5.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4334 -6.0846 -4.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -5.6900 -3.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 -5.8149 -2.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -5.3894 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 -5.6737 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3456 -5.2412 1.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5136 -3.7498 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -3.2484 2.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 -2.9568 0.6299 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7428 -1.5490 0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6451 -1.1333 -0.3792 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4202 0.3565 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 0.8245 0.9089 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 2.4706 0.9676 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2260 3.1573 1.1803 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8368 2.9534 -0.4866 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1364 2.9336 2.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 3.2064 1.7187 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3897 2.3028 2.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4968 2.7368 3.7483 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 2.5173 1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6183 1.5573 2.2249 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 3.9073 2.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4703 4.2115 1.7662 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 4.8958 1.5481 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6325 6.1548 1.9811 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 7.0323 0.7154 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.8130 7.2232 1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 6.1838 -0.7189 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6139 8.5426 0.6534 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8171 4.6385 1.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7207 4.9559 3.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 -1.7063 0.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -2.6720 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 -3.0537 -1.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -3.2737 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6776 -2.5311 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9824 -3.0980 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0998 -3.0432 1.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0442 -1.6409 2.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1551 -1.6021 3.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -2.3140 4.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -1.6957 3.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 -1.1822 4.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.5625 4.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 -0.0399 5.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 0.6006 5.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 0.3875 6.5688 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2029 2.0664 5.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5025 2.7294 4.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 2.0926 4.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 2.8189 4.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 2.2360 3.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6984 3.8036 -4.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0287 5.4649 -4.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6896 4.6249 -5.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9077 5.8526 -2.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 5.8075 -3.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 3.5705 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6531 2.7610 -1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 4.4474 -2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 5.0578 -3.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 3.8456 -4.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0637 1.7043 -4.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 0.2859 -3.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 1.5774 -3.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7982 1.8553 -6.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0491 -0.3675 -6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 -1.9232 -5.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -1.3185 -4.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 -1.6892 -4.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 -3.8032 -5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -3.5338 -6.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 -4.2711 -7.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5663 -5.9722 -6.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9543 -7.1065 -4.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 -6.4439 -3.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6815 -4.7267 -3.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3884 -5.1584 -2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8786 -6.8404 -2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8095 -5.9783 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 -4.3332 -1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -6.7764 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8863 -5.2314 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3048 -5.7272 1.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5635 -5.5304 2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 -1.1740 1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7234 -1.1607 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 -1.5823 -1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1784 0.9178 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 0.5100 -0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3793 2.5100 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4593 3.0666 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 1.2331 2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 2.3136 4.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 2.5522 0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2120 1.9776 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1753 4.0103 3.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5836 4.0004 0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3922 4.7580 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 6.3325 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0575 8.7279 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 5.3423 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5218 5.4534 3.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 -3.2540 1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -4.3431 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 -2.6400 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5969 -1.4584 -0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7863 -2.4571 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1697 -4.1155 -0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1456 -3.4096 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4419 -3.7602 1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9431 -1.1045 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1764 -1.0687 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2729 -0.5707 3.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1087 -2.1188 3.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9938 -3.3589 3.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 -2.3190 5.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3517 -1.6815 2.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 -1.2246 5.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3153 -0.5324 3.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 -0.0819 6.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 0.1387 4.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5139 -0.4978 6.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 2.5544 6.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 2.3172 4.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 3.8138 4.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 1.0245 5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 2.6640 5.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7783 3.8972 4.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6621 2.5855 3.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 2.5444 2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6283 1.1419 3.4467 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 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 26 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 2 0 61 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 46 33 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 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 25102 1 0 25103 1 0 26104 1 6 27105 1 0 27106 1 0 31107 1 0 33108 1 6 34109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 0 39114 1 0 40115 1 6 44116 1 0 45117 1 0 46118 1 0 47119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 59135 1 0 60136 1 0 61137 1 0 62138 1 0 63139 1 0 64140 1 0 64141 1 0 65142 1 0 66143 1 0 67144 1 0 67145 1 0 68146 1 0 68147 1 0 68148 1 0 M END