HMDB0293899 RDKit 3D CDP-DG(20:4(5Z,8Z,11Z,13E)-OH(15S)/i-18:0) 156157 0 0 0 0 0 0 0 0999 V2000 2.4374 -4.6261 -3.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 -3.6390 -4.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 -4.3789 -4.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -3.5147 -4.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4144 -2.3377 -4.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 -2.5365 -2.6202 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9997 -3.3490 -2.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 -2.8860 -1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 -2.6052 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 -2.9756 0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 -2.7691 1.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 -2.1115 2.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8692 -0.9111 3.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 0.2726 3.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 0.6175 2.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4974 1.1395 2.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 2.3162 2.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 3.4250 1.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 3.8114 1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6732 4.9665 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6337 4.9292 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4591 4.7910 -0.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9023 5.0381 -2.1281 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 5.0388 -3.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3933 3.6775 -3.4004 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4785 2.6954 -3.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2249 1.3622 -3.2259 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8008 0.6572 -3.1567 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3344 0.6993 -4.5677 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7042 1.6926 -2.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8197 -0.8475 -2.4703 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4034 -0.8792 -0.8881 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9531 0.3112 -0.0697 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1069 -0.8841 -0.8719 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8627 -2.2677 -0.0516 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8650 -2.7950 0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3548 -4.0166 1.4343 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2668 -3.7694 2.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1418 -5.0143 2.8857 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1593 -5.0891 3.9128 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2611 -4.6291 5.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -4.7498 6.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0469 -5.3817 5.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0182 -5.4999 6.6943 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 -5.8290 4.4766 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9782 -5.6933 3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -6.1450 2.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5538 -5.3244 3.3848 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8546 -6.6689 3.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4004 -4.4838 2.4325 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3742 -5.2537 1.7946 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 3.7187 -2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 4.0976 -2.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 4.3814 -3.7806 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8384 4.1574 -1.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0759 4.9767 -1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 4.9884 -0.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 5.9118 -0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 5.9396 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 4.6556 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 4.6597 1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 4.7042 2.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8507 3.4100 2.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6981 2.2330 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0117 0.8982 2.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7366 0.6415 1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0544 -0.6749 1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 -1.1817 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 -0.3849 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 0.9707 -1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -0.2453 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0491 -5.4145 -3.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2842 -4.1389 -3.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8593 -5.1382 -4.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -2.7966 -3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -3.3078 -5.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1895 -5.1785 -5.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 -4.9472 -3.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 -3.1336 -5.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9828 -4.1614 -5.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -1.8061 -4.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 -1.5975 -4.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2531 -1.4823 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -4.2259 -3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -3.3714 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 -2.1245 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8354 -3.4739 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6669 -3.0983 2.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 -1.9727 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6578 -2.8230 3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 -1.0169 4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 1.1390 3.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 1.4387 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6473 -0.1744 1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 0.4288 3.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8743 2.4952 3.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 4.3431 2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7467 3.1683 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6139 4.0627 1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2437 2.9193 0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 5.2466 -0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 5.8838 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3487 5.8088 -3.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7657 5.0793 -4.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9147 3.8370 -4.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1508 2.8539 -4.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1159 2.9679 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5036 1.2765 -1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3434 -1.0467 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7828 -3.0358 0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1653 -2.0549 1.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 -4.8292 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -5.7249 2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -4.1436 5.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -4.3736 7.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6922 -4.7642 6.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 -6.3523 7.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7026 -5.0571 4.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1407 -7.0582 2.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8448 -3.6220 2.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9882 -5.9930 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 3.1964 -1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 4.7646 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 4.4828 -2.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 5.9995 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 4.0123 -0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 5.4904 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6841 5.5127 -1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8523 6.9194 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9073 6.7348 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 6.2529 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6408 4.5959 -0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 3.8040 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2700 3.7659 1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2866 5.5625 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 4.6352 3.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0919 5.6046 2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 3.3251 1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0877 3.5860 3.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 2.1588 2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9976 2.3300 4.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 0.0865 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 1.0017 3.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1564 1.4966 1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7235 0.6684 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 -0.6737 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 -1.4283 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -2.1681 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7995 -1.4335 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0599 -0.9606 -1.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6652 1.0772 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9529 1.7522 -0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4769 1.1735 -2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 -0.4803 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 -0.7441 -1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.8484 -0.7116 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 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 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 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 43 45 2 0 45 46 1 0 46 47 2 0 39 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 69 71 1 0 50 37 1 0 46 40 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 1 7 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 24103 1 0 24104 1 0 25105 1 6 26106 1 0 26107 1 0 30108 1 0 34109 1 0 36110 1 0 36111 1 0 37112 1 6 39113 1 6 41114 1 0 42115 1 0 44116 1 0 44117 1 0 48118 1 1 49119 1 0 50120 1 1 51121 1 0 55122 1 0 55123 1 0 56124 1 0 56125 1 0 57126 1 0 57127 1 0 58128 1 0 58129 1 0 59130 1 0 59131 1 0 60132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 62137 1 0 63138 1 0 63139 1 0 64140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 66145 1 0 67146 1 0 67147 1 0 68148 1 0 68149 1 0 69150 1 0 70151 1 0 70152 1 0 70153 1 0 71154 1 0 71155 1 0 71156 1 0 M END