HMDB0267121 RDKit 3D PA(a-21:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 133132 0 0 0 0 0 0 0 0999 V2000 -15.6554 -2.4487 2.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2051 -1.0884 2.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0263 -0.1246 2.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1786 -0.6473 1.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9545 0.2298 1.1576 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3389 1.5229 0.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0646 0.1381 2.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8142 0.5200 2.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2576 1.0820 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7512 2.4611 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5214 2.8656 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4213 1.9799 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8803 2.4971 -0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8626 1.8335 -1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3844 0.4723 -1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3445 -0.4789 -2.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9757 -1.5108 -1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5212 -1.8484 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6039 -1.8921 0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5239 -2.9072 0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5935 -2.7561 -0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -3.7103 -1.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8928 -1.5830 -0.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9946 -1.4393 -1.7272 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5924 -1.3803 -1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 -0.4054 -0.4004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1922 0.9424 -0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5417 1.5142 -1.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 1.7331 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 0.8468 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 0.3262 0.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1842 1.4699 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 0.9538 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2948 0.0904 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4431 -0.4276 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3247 0.6230 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9738 1.5428 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8360 1.0854 1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0751 0.3351 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9412 -0.9983 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2110 -1.7075 -0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1763 -1.2050 -1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8224 0.1117 -1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5794 0.3625 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7071 -0.6294 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6459 -0.4862 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4546 -0.3057 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 -1.2626 1.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 -0.4179 -2.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.2195 -3.7539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3413 0.9579 -4.7701 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2893 1.7070 -5.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3714 0.1827 -5.8637 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 2.0568 -3.8714 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.3111 -2.9587 3.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5811 -3.0969 2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6270 -2.4277 3.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7901 -1.1367 1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9144 -0.7290 3.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3666 0.9053 2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4575 -0.0584 3.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8308 -1.6643 1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8028 -0.5422 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4759 -0.2218 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7219 1.5914 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4464 -0.2683 3.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1421 0.4433 3.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1321 1.2015 0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4862 0.4563 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4569 3.2566 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2879 3.9478 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7151 0.9520 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5809 2.1846 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 3.5218 -0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4404 2.2797 -2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0556 0.1132 -1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0821 0.5436 -2.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8381 -0.3402 -3.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -2.1800 -2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4353 -1.3089 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9284 -2.9246 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0933 -0.8876 0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1948 -1.9935 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9374 -3.9632 0.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9827 -2.8585 1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0608 -2.4591 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3117 -2.4134 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -1.3350 -2.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 2.6667 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6326 2.0118 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 1.3514 2.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4943 -0.0309 1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 -0.3042 1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0466 -0.2840 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5699 2.0878 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6244 2.1122 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 0.5177 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9679 1.9067 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6533 0.7229 1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 -0.7620 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0249 -1.2165 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 -0.9936 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 1.2988 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9384 0.2402 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6041 2.2538 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1830 2.2691 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2623 0.4984 1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1120 2.0246 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7534 1.0261 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5805 0.1317 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3673 -1.0116 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3435 -1.6659 0.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6776 -1.8992 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9315 -2.7800 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9767 -1.9885 -1.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6192 -1.1845 -2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6692 0.0960 -1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2603 0.9975 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0560 1.3758 0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 0.4414 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3592 -1.6622 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4010 -1.1935 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5684 0.5426 -1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6872 -0.6311 -0.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7110 -0.3708 2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8093 0.7439 1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5522 -0.8877 1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7447 -1.3693 3.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3463 -2.2793 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4655 -0.8982 -3.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8421 0.5280 -2.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3002 0.4876 -5.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 2.9563 -4.2784 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 5 7 1 0 7 8 2 0 8 9 1 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 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 45 47 1 0 47 48 1 0 24 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 6 6 65 1 0 7 66 1 0 8 67 1 0 9 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 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 29 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 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 53132 1 0 54133 1 0 M END