HMDB0279416 RDKit 3D PIP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/18:3(9Z,12Z,15Z)) 142142 0 0 0 0 0 0 0 0999 V2000 4.9920 -5.8220 -1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 -4.9686 -1.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3606 -5.7333 -2.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0419 -5.3074 -3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8286 -4.0115 -3.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0871 -3.2502 -3.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1747 -2.0631 -3.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9398 -1.4042 -2.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7344 -0.1868 -3.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 1.0208 -3.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6817 1.5584 -1.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9552 0.8751 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0598 0.6483 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7433 1.0695 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 1.1197 0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 0.7857 2.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3826 -0.2797 2.8481 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4528 0.5048 1.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 -0.6920 0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 -0.9576 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2615 0.1576 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0634 1.0321 -0.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 0.3293 -0.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 1.4856 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8839 1.7195 -1.2591 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4527 2.1071 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 3.1753 0.6024 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1502 3.7186 2.1204 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2952 2.9450 2.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 5.3428 1.9544 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7538 3.6567 3.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 4.8700 3.6870 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1624 4.5551 5.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2895 3.9839 5.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 5.7218 5.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3859 5.3510 6.7675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1369 6.8350 5.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 7.7120 4.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 6.2784 3.8726 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7956 5.6389 4.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1537 6.5004 3.8462 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0564 7.8975 4.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5764 5.7863 4.4138 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 6.6101 2.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1502 5.3342 3.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 4.2354 2.6545 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 0.6453 -1.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 0.8471 -2.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3773 2.0648 -3.3938 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0681 -0.1394 -3.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5452 0.0161 -3.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2007 -0.3234 -2.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7802 0.2503 -1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7836 -0.2931 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4095 0.1070 1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0735 -0.5177 1.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1855 -1.9697 1.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4552 -2.7831 1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3459 -2.3623 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 -3.0323 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -3.8861 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8031 -4.2743 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6167 -3.9427 -2.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -4.8943 -2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 -6.3130 -2.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1803 -7.0733 -2.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2015 -6.8380 -1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4589 -5.8529 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3031 -5.3743 -2.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0614 -3.9821 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 -4.9705 -0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6277 -6.7440 -1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8513 -5.9903 -3.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9145 -3.5587 -3.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6864 -4.2522 -4.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0282 -3.7133 -4.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1495 -1.5427 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2225 -1.1693 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 -2.0296 -2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6569 -0.3228 -4.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4761 1.8163 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8569 2.3552 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5746 2.3820 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9474 0.5150 -0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4155 0.1228 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5751 1.4929 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 1.6178 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 1.6971 2.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0076 -0.0538 3.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0325 0.2452 2.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 1.4244 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -1.6021 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 -0.5427 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -1.9390 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 -1.0841 1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 2.3376 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0316 1.2876 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0338 2.6483 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4828 2.4292 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3962 1.2632 0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 5.8113 1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 5.6232 3.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 3.7785 5.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4438 3.0470 5.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 6.1229 6.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8698 4.5813 6.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 7.4388 5.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 8.2977 3.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9572 7.1836 3.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3709 6.1065 3.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7242 7.4799 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 5.8697 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 4.2652 2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7488 -1.1899 -3.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8538 0.0090 -4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7601 1.0849 -3.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9927 -0.5966 -4.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3018 -0.0811 -2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -1.4740 -2.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8811 1.3534 -1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 0.0180 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7539 0.1780 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8935 -1.3906 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2741 1.1859 1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1559 -0.2680 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2639 -0.1089 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9734 -0.1531 2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9682 -2.4211 2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6312 -3.8839 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1821 -1.2755 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -2.5663 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7826 -2.7686 1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5265 -4.3443 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 -5.3177 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 -3.6924 -1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -2.9045 -2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 -4.5818 -3.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 -6.6972 -3.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2307 -6.6349 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -6.6960 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 -8.1729 -2.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 -6.8494 -1.1897 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 2 0 15 16 1 0 16 17 1 0 16 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 44 1 0 39 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 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 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 45 32 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 6 26 99 1 0 26100 1 0 30101 1 0 32102 1 1 33103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 6 43110 1 0 44111 1 0 45112 1 0 46113 1 0 50114 1 0 50115 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 58129 1 0 59130 1 0 59131 1 0 60132 1 0 61133 1 0 62134 1 0 62135 1 0 63136 1 0 64137 1 0 65138 1 0 65139 1 0 66140 1 0 66141 1 0 66142 1 0 M END