HMDB0267189 RDKit 3D PA(a-21:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 135134 0 0 0 0 0 0 0 0999 V2000 18.5111 -0.0883 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3072 -0.9644 0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1487 -1.9093 -0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0829 -2.0207 -1.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8550 -1.2090 -1.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5219 -0.4001 -2.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3999 -1.3283 -3.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1123 0.1283 -2.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5196 0.1241 -1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1671 0.6222 -1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7122 0.5579 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 1.0130 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7454 -0.2062 0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7159 -0.8436 0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8469 -0.5793 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 0.5409 -1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 1.4724 -1.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 1.4562 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 2.6465 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3639 2.5831 1.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5587 1.4160 2.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 0.9277 3.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2965 0.4011 2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4356 -0.2703 2.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0261 0.5185 0.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -0.1276 0.3595 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2373 -0.9344 -0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 -1.7565 -1.2511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2519 -2.7857 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4546 -2.8699 0.7051 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 -3.7305 -0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5025 -3.4786 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0778 -2.1068 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1823 -1.7595 1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2702 -2.8000 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3832 -2.4834 2.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1641 -1.2372 1.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8504 -1.4071 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7711 -2.5695 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8575 -2.6453 1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0182 -1.7392 1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7566 -0.2982 1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0905 0.4813 1.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0173 0.2184 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5327 0.5222 -0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1854 1.9137 -1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2602 2.9341 -1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9463 3.2099 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7304 4.2446 -1.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3298 4.0088 -3.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 1.0539 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 1.7299 1.1623 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2756 3.0649 1.0321 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4092 4.3284 1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2778 3.2205 2.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2348 3.0723 -0.3564 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2999 -0.7962 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8107 0.5058 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2823 0.5803 -1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6517 -1.5586 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4518 -0.3891 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0256 -2.5727 -1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1471 -2.8042 -2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9952 -1.9017 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8963 -0.5541 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1844 0.4120 -3.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3785 -2.2224 -3.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6064 0.5103 -3.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0526 -0.2855 -0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5256 1.0389 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3679 0.1647 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8096 1.5693 -0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5306 1.7496 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3032 -0.5968 1.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4146 -1.7926 1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9006 -1.5092 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7795 -0.7363 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7914 0.7184 -2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1081 2.3072 -2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4815 0.4972 -0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 1.5231 -1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 3.5960 -0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1294 3.5783 1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 0.5910 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 1.6488 2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 1.8279 3.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 0.2361 3.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 -0.6999 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -1.5647 -0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 -0.2487 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 -4.7890 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6675 -3.6882 -1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 -4.2980 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -3.5282 1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 -2.0041 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -1.3844 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6295 -0.8056 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7315 -1.5456 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5936 -3.0334 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7916 -3.7491 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0847 -2.4162 3.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1037 -3.3357 1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 -0.3318 1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9654 -1.1245 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3074 -0.4830 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 -1.6254 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2625 -2.5591 -0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 -3.5501 0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3074 -3.7049 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4573 -2.7593 2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6497 -2.0017 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7457 -2.0064 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1584 -0.0189 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2998 0.1530 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7902 1.5172 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5911 0.1860 2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9870 0.7226 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2937 -0.8758 0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3120 0.0882 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6338 -0.1166 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7085 1.9268 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3165 2.2299 -0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0674 2.5796 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9833 2.7750 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3712 3.0109 0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1433 4.3235 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8432 4.5666 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4896 5.0517 -1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7610 4.8144 -3.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7056 3.0092 -3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2226 4.0934 -3.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 1.7194 -0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9993 0.5937 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7525 2.8815 3.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7682 2.8079 -1.1697 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 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 49 50 1 0 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 48124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 55134 1 0 56135 1 0 M END