HMDB0013485 RDKit 3D PGP(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -4.5301 3.6490 1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 3.6410 0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 2.2517 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 1.7059 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3393 2.4160 -1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5107 1.7304 -2.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4829 1.2466 -3.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 1.2865 -4.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8869 -0.0611 -5.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7177 -0.5571 -4.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 0.1443 -4.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5509 0.3100 -5.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.4521 -5.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 2.7296 -4.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 3.6365 -4.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4872 4.0558 -3.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 3.7810 -1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3382 3.3693 -0.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 2.1734 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4233 0.8428 -0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 0.6055 0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0428 -0.7293 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 -1.1629 1.3531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 -1.6411 -0.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5108 -2.9249 -0.6960 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5658 -4.0250 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3094 -3.8444 0.5555 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3552 -4.6978 0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6064 -5.6236 0.0493 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 -4.5559 2.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 -4.0005 1.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4139 -2.6147 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7885 -2.0055 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 -0.6219 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9908 0.0369 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7363 0.1796 1.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9830 1.0197 2.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6953 1.1768 3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9253 -0.1629 4.6664 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6275 -0.0121 5.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.8339 6.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 0.2952 7.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5117 -1.0666 7.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -1.4290 8.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 -3.2491 -1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7226 -2.4575 -1.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0619 -2.8894 -2.3084 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5270 -4.2976 -1.9219 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5705 -2.9884 -3.9088 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3326 -1.8199 -2.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 -2.4758 -1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6709 -1.5664 -1.5072 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4052 -0.6554 -0.4738 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1806 -0.8668 -2.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4604 -1.7317 -3.7829 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0329 -0.7658 -5.0754 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.4565 0.6022 -4.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4282 -1.4636 -5.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8339 -0.5197 -6.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5264 4.5622 2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 3.6392 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5038 2.7367 2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5245 4.1881 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6204 4.2246 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 1.6364 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6484 0.6610 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 2.5065 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 3.4575 -1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 1.6855 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 0.7685 -4.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7606 1.7315 -5.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 1.9327 -4.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6755 -0.6467 -5.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5313 -1.5888 -5.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 0.9936 -3.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -0.6654 -3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 -0.6071 -5.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 1.5062 -6.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3464 2.7098 -4.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2001 3.2858 -5.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 3.9902 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 4.7553 -2.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 2.9227 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 4.7038 -1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6303 3.2684 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 4.2212 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 2.2406 -1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 2.0589 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7127 0.8128 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 0.0637 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 1.3484 0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2524 0.8204 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9291 -2.9964 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 -5.0056 -0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 -3.9716 -1.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2479 -5.5777 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5819 -3.9512 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 -4.6973 1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -3.9262 2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 -1.9693 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9143 -2.6538 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3038 -2.6294 0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3423 -1.9420 2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1678 -0.7191 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9604 -0.0001 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8136 1.0329 -0.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5853 -0.5821 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0215 -0.8049 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 0.7200 1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 0.5994 2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8003 2.0440 2.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 1.8489 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 1.6474 3.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9655 -0.6839 4.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -0.7899 4.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8039 -1.0107 6.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6221 0.4708 5.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 0.8904 7.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 1.8749 6.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 0.2948 6.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0507 1.0042 8.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9948 -1.8313 7.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0307 -1.0456 8.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 -0.9667 7.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8891 -2.5063 8.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -0.9430 9.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 -4.3384 -1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 -3.1634 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -3.6261 -4.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8173 -3.2184 -2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3341 -3.0484 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5074 -2.2102 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1802 0.1992 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4404 -0.0977 -3.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1087 -0.2952 -2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4904 -1.2838 -6.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3788 0.3658 -6.1235 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 2 0 16 17 1 0 17 18 1 0 18 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 1 0 42 43 1 0 43 44 1 0 25 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 1 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 49129 1 0 51130 1 0 51131 1 0 52132 1 1 53133 1 0 54134 1 0 54135 1 0 58136 1 0 59137 1 0 M END