HMDB0265728 RDKit 3D PA(22:1(13Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 135134 0 0 0 0 0 0 0 0999 V2000 -10.6926 -1.2691 -4.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3749 -1.7751 -3.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3703 -1.8808 -2.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3483 -1.2507 -1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3645 -0.3184 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2136 -0.4952 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2978 -1.4715 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5164 -2.6772 1.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6579 -3.0990 2.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3669 -2.6052 3.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8605 -1.3516 3.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7367 -0.5019 4.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4823 0.7076 4.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2947 1.4674 3.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4425 1.9492 1.9444 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.3041 2.6363 1.0515 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5115 3.0480 2.4570 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2920 4.0344 3.0379 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7073 3.6081 1.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7813 2.5973 0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7448 2.1170 1.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8554 1.1367 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 0.2378 0.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4869 1.1740 1.1812 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 0.3943 0.6696 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4305 -0.0340 1.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4266 -0.7422 0.9751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4644 -1.9290 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -2.5040 0.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 -2.4849 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 -1.3142 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1013 -1.5886 -0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 -2.5865 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 -2.0713 1.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -0.8269 1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2753 -0.7814 1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9947 -1.0908 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7309 -0.3292 -1.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 -0.7321 -2.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1236 -0.4048 -2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2746 1.0288 -1.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 1.8157 -2.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9900 1.4226 -3.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4400 1.7859 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9324 1.1642 -1.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9401 -0.3358 -1.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4234 -0.8904 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8168 -0.4373 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2536 -1.0325 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6714 -0.5753 1.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7863 1.1707 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 2.3516 0.0158 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 3.1869 -1.2428 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9353 2.6295 -1.3492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 4.8332 -1.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 2.9086 -2.7078 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2488 -2.1208 -5.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8807 -0.5671 -4.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4517 -0.7415 -5.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2730 -1.2051 -3.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7030 -2.8344 -3.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5357 -2.5711 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4609 -1.4521 -0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8304 0.7168 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9985 -0.0866 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9387 0.3674 0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1212 -1.3725 1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3616 -3.5511 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0144 -2.9193 0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1097 -4.1090 2.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6261 -3.1811 4.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4283 -1.6231 4.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5838 -0.8145 3.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0169 -0.9391 5.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5869 1.2526 4.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1958 0.9872 2.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6427 2.3883 3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8537 1.1892 1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8672 2.6894 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8847 2.6358 3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9032 4.9545 2.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0988 4.4976 1.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3827 3.9895 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3033 3.1420 -0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3320 1.7439 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1077 2.9550 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3059 1.6385 2.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 -0.4494 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8204 -0.6186 2.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 0.9161 1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 -3.3271 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -2.8057 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.7854 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2874 -0.5180 -1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9995 -2.0363 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.5802 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 -3.4921 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -2.8995 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5015 -2.9366 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -1.9925 1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6664 -0.5272 2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 0.0468 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7495 -1.4501 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6194 0.2502 1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0043 -2.1989 -0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 -0.8889 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7992 0.7564 -1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7278 -0.6389 -1.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3761 -0.0935 -3.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5621 -1.7956 -2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4016 -1.0557 -1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -0.7775 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6568 1.4831 -0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1049 2.8931 -2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0004 0.3878 -3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7321 2.0852 -4.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4649 2.9031 -3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0768 1.4697 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3536 1.5197 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9770 1.5374 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6766 -0.6281 -2.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9650 -0.8057 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7121 -0.5320 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3412 -1.9890 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5330 -0.7786 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8913 0.6547 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2020 -2.1279 1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5401 -0.6349 1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2866 -1.4216 1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6413 0.2413 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1699 -0.1992 0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 0.5542 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5084 1.4354 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 5.1337 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1868 3.2845 -2.5811 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 1 0 15 17 1 0 17 18 1 0 17 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 2 0 28 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 2 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 48 49 1 0 49 50 1 0 25 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 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 6 16 79 1 0 17 80 1 1 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 6 26 89 1 0 26 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 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 47124 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