HMDB0267940 RDKit 3D PA(i-18:0/20:4(6E,8Z,11Z,14Z)-OH(5S)) 124123 0 0 0 0 0 0 0 0999 V2000 -15.5511 2.2595 -1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0815 2.2566 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2086 1.6724 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7555 1.6188 -1.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4752 0.7936 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0392 0.7055 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4297 1.1092 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0806 1.7293 2.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7671 3.0814 2.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0002 3.9424 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1687 3.8846 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7469 4.1018 1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7961 3.3222 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9806 2.1130 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9476 1.3522 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 0.0853 -0.9712 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3830 0.2209 -1.6344 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 -1.1168 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5095 -2.3392 -0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3617 -2.5833 -1.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1236 -2.8378 -1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 -2.9911 0.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 -2.9257 -1.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 -3.1738 -0.9898 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3078 -2.0343 -0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4365 -2.5168 -0.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5174 -1.6902 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 -0.5049 -0.4631 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7354 -2.2155 0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 -2.0841 2.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 -0.6493 2.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4092 0.1856 2.3334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 0.0257 3.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 -1.1861 3.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0884 -1.6837 2.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0672 -0.6429 1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7447 -1.1881 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7178 -0.1690 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7681 0.1193 0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7866 1.1375 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5233 0.7230 -0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5169 1.7975 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8126 3.0987 -1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8395 4.1250 -1.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7743 2.9811 -2.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0751 -4.4478 -1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 -4.7414 -0.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7225 -6.1813 -1.5112 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2358 -6.1263 -1.6373 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -6.4241 -3.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2947 -7.5023 -0.5551 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5288 2.3858 -2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0333 1.2792 -0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0299 3.1186 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0348 1.6204 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8270 3.2883 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3433 2.2650 -2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5528 0.6376 -1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3818 2.6413 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2574 1.1560 -2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1183 1.1602 0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8225 -0.2612 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4305 0.2421 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3307 0.9029 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8268 1.0652 3.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2132 1.5853 2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3152 3.4069 3.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9545 4.9444 2.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4064 3.0823 0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4804 4.8246 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4896 5.0029 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7551 3.5708 1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9469 1.8157 -0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 1.6491 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3948 -0.0142 -1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0836 -0.1297 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4131 -1.2012 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1567 -0.9557 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 -3.2462 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4696 -2.1705 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5884 -3.5443 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2155 -1.7599 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 -3.3269 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6195 -1.7414 -1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1212 -1.2258 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8313 -3.2788 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5844 -1.6109 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 -2.6610 2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 -2.5959 2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -0.2297 1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -0.5244 3.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 0.1777 1.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 1.2701 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1492 0.2624 4.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2123 0.9489 3.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8619 -2.0171 3.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2117 -0.8753 4.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5093 -2.1640 1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7746 -2.5108 2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8371 -0.4730 2.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5025 0.2562 1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3492 -2.1011 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9588 -1.4403 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1359 -0.4657 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1149 0.7597 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 0.6199 1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2235 -0.8106 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2877 2.1009 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5401 1.1951 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8889 0.4135 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1573 -0.1637 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2455 1.9776 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9962 1.4586 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3834 3.4987 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4356 5.1602 -1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9732 4.0687 -3.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7721 4.0191 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9516 2.1509 -3.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7448 2.8117 -2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 3.9192 -3.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1122 -4.3508 -2.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 -5.2738 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 -6.8083 -2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2396 -7.2680 0.4049 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 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 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 1 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 43 44 1 0 43 45 1 0 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 16 75 1 6 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 1 25 84 1 0 25 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 50123 1 0 51124 1 0 M END