HMDB0268356 RDKit 3D PA(i-22:0/20:4(6E,8Z,11Z,14Z)-OH(5S)) 136135 0 0 0 0 0 0 0 0999 V2000 19.6956 -0.6630 -2.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1538 -1.3970 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9743 -0.4935 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0358 0.6502 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6363 0.1630 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8123 1.3408 -1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7500 1.7006 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0804 1.0301 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6007 -0.1682 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1190 -1.3636 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8625 -1.8904 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0159 -0.9721 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 -0.6420 0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1903 -1.1260 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9649 -0.7590 1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 -1.2281 3.0602 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5430 -2.4013 2.8135 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3743 -0.1174 3.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3396 0.3380 2.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5395 1.4395 3.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 1.9074 2.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6066 2.9217 1.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 1.1579 2.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2455 1.4726 1.4259 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0055 1.6771 2.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 1.8921 1.4369 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8778 1.0225 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -0.1907 0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0742 1.4325 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6701 0.1836 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8665 0.4353 -1.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9944 1.1034 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1465 1.2790 -1.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3549 1.9254 -1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9704 1.2173 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4066 -0.1828 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4217 -0.3598 -1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6957 0.3739 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6987 0.1458 -2.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0362 -1.2903 -2.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5877 -1.9699 -1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8869 -1.5897 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0285 -0.2338 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4501 -0.0678 0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5132 -0.2401 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8960 -0.0222 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3980 -0.9082 1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8712 -0.4661 1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7193 -0.7577 2.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 0.3992 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 0.3710 -0.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -0.8308 -1.4708 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9137 -2.0905 -0.8486 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 -1.0902 -2.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 -0.2592 -2.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7814 -0.4795 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2206 0.3282 -2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 -1.3108 -3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9420 -2.1469 -1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2537 -1.9793 -1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7456 -1.0405 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9863 -0.0230 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9517 1.2045 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3675 1.3378 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2886 -0.6752 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7707 -0.2921 -2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1706 2.0172 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2602 2.6869 -0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2154 1.8288 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9859 1.1198 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6249 -0.0359 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7940 -2.1071 1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3110 -2.4423 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0728 -2.7990 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4354 -0.5720 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 0.0643 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 -1.8146 2.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4746 -0.0653 1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9925 -1.5061 3.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 -2.2623 2.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8087 -0.4874 4.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0615 0.7087 3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7312 0.8313 1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -0.4856 2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2117 2.2807 3.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1291 1.0151 4.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5895 2.4405 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 2.4682 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8802 0.7248 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 1.9098 0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 2.0831 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 -0.2768 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8951 -0.5117 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5949 1.1606 -2.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1948 -0.5341 -1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6604 2.0570 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2539 0.4278 0.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8185 1.8949 -2.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3656 0.2713 -2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0848 2.0569 -1.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0796 2.9481 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2561 1.1958 0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 1.8256 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8380 -0.5713 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4997 -0.7893 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6042 -1.4581 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0537 -0.0347 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1555 -0.0155 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5301 1.4473 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0513 0.3953 -3.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4787 0.8842 -2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7188 -1.4087 -3.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0923 -1.8061 -2.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6557 -3.0851 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8317 -1.9380 -0.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1022 -2.3222 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7259 -1.7367 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9289 0.6066 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3392 -0.0674 0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4407 0.9142 1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4651 -0.9195 1.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5171 -1.3153 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3479 0.3843 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5966 -0.0473 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9482 1.0449 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4495 -1.9656 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8854 0.6390 1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4400 -0.8364 0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.2129 -0.8795 2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1183 0.1534 2.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5362 -0.7682 3.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1094 -1.6677 2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5268 0.6540 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0874 -0.6064 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 -0.3985 -2.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 0.6654 -2.9405 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 24 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 1 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 6 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 54135 1 0 55136 1 0 M END