HMDB0267277 RDKit 3D PA(a-25:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 143142 0 0 0 0 0 0 0 0999 V2000 16.1637 -0.2846 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1973 -1.0692 0.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7891 -0.1579 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1973 0.2327 -1.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8261 -0.1418 -1.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9860 1.0474 -2.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8678 1.3066 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0428 0.6154 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3636 -0.6994 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5828 -0.9302 1.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5535 0.0462 2.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4899 -0.4118 3.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4377 0.2659 3.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1853 1.5898 3.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 2.2966 3.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8160 3.6329 2.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7013 4.5997 3.4877 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6846 3.8366 1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5979 3.0942 0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7317 1.6258 0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6459 0.8938 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 0.9489 -1.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6586 0.1674 0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -0.5315 0.1894 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2374 -0.1211 0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 -0.9123 -0.1699 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 -0.8390 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -0.0121 0.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1032 -1.7202 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 -0.9195 -2.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 -1.6808 -3.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4106 -2.3263 -2.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5936 -1.5476 -2.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4681 -0.7578 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7756 -0.0291 -0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9244 -0.9520 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1707 -0.1602 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3324 -1.1262 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6157 -1.9737 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0074 -1.2229 -2.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3509 -0.4527 -2.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5633 0.2452 -3.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7894 0.9813 -3.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2968 2.0798 -2.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7393 1.7727 -1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8525 0.7430 -1.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4126 0.3363 -0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0083 1.4688 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5799 1.0098 1.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1571 2.2316 2.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7603 0.0722 1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2574 -0.3328 2.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7714 -2.0442 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6874 -2.2942 1.8167 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 -3.9460 2.1165 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1013 -4.7406 0.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -4.1766 3.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 -4.5546 2.8615 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7226 -0.8971 2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1725 0.0796 2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4477 0.5562 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8722 -1.9538 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1961 -1.4254 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8382 0.1842 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7403 0.9115 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4138 -0.9562 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9649 -0.5702 -2.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4065 1.8085 -2.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4348 2.3331 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0009 0.4844 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7397 1.2958 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 -1.6020 -0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8202 -1.9881 1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5064 -0.0731 2.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4391 1.0568 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5893 -1.4090 3.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6972 -0.1493 4.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8672 2.0513 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4506 1.7987 4.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8153 3.9387 3.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4758 4.6417 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5532 4.9406 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6362 3.6006 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 3.3756 -0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5779 3.4707 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5645 1.2701 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7178 1.2953 0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -0.4001 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 -0.3750 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 0.9448 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -2.0237 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7487 -2.5529 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 -0.7449 -2.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 0.0947 -1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 -0.9299 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 -2.4031 -3.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 -3.2244 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7407 -2.9004 -3.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4841 -2.2403 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8416 -0.8195 -3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7473 0.0645 -1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1303 -1.3835 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5385 0.5671 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 0.6990 -1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0793 -1.6813 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6872 -1.5493 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9800 0.3472 0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4238 0.5932 -0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0477 -1.7778 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2135 -0.5008 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5031 -2.6301 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8043 -2.6661 -1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2272 -1.9648 -3.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2370 -0.5549 -2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0990 -1.1776 -1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1074 0.2896 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4701 -0.5732 -4.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6259 0.8656 -3.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6629 0.2424 -3.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6614 1.3881 -4.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5935 2.9811 -2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2123 2.5208 -3.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2210 2.6932 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9529 1.3893 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6954 1.0857 -2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4411 -0.1832 -2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1563 -0.4877 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5879 -0.0942 0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7317 2.0483 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1757 2.1764 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8133 0.5851 2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7375 2.8058 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8566 1.9406 3.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3410 2.8127 2.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4818 -0.8305 0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5363 0.6616 1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2777 0.0495 3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3071 -1.4388 2.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5411 -0.0255 3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 -2.5799 -0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8011 -2.3118 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 -3.9999 4.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9736 -3.7843 3.2290 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 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 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 24 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 6 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 50132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 57142 1 0 58143 1 0 M END