HMDB0011519 RDKit 3D LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 76 75 0 0 0 0 0 0 0 0999 V2000 -9.0107 -3.3299 0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5521 -2.3526 1.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4901 -1.5753 2.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4347 -0.2623 2.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3395 0.6647 1.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0023 1.5421 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9288 1.6962 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 0.9241 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3104 0.2377 -1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1914 0.5102 -1.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 1.4921 -1.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9843 0.7480 -1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 1.0258 -1.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6213 2.0962 -2.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 3.1989 -2.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0941 3.3687 -1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0345 2.5962 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 2.1463 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 1.3047 -0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 0.8981 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8561 1.2896 0.6008 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0705 0.1137 -1.3285 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3818 -0.2706 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 -1.1003 0.2042 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6427 -2.2450 0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8437 -1.5863 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8085 -2.3612 1.6233 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3362 -2.9560 2.0283 P 0 0 0 0 0 5 0 0 0 0 0 0 8.2000 -3.7395 3.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7831 -4.0433 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3948 -1.6741 2.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3308 -1.6371 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2775 -0.4725 1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2024 -0.5278 0.1552 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6774 -4.2369 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1715 -2.8522 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8494 -3.5651 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1185 -2.8984 2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2840 -1.6975 0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 -2.1148 2.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5884 0.2056 2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3753 0.1751 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6902 1.3486 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8461 2.2540 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9038 2.4830 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7722 0.1021 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8926 1.5579 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0439 -0.4854 -1.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9179 0.0103 -2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 2.2224 -2.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5471 2.1164 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -0.0877 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 0.3669 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 1.6249 -3.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 2.5068 -3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5854 3.9836 -3.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 4.3044 -1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 3.3832 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 1.8309 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 3.0260 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4361 1.5517 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 0.3572 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 1.7941 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 0.6558 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7715 -0.8110 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1268 -0.5247 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1271 -2.9400 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 -0.7224 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -2.2024 -0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7491 -4.2636 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9027 -2.5710 1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7661 -1.5022 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7762 0.4983 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9080 -0.5996 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0830 -0.0586 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7758 0.0549 -0.6195 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 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 1 0 33 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 19 63 1 0 23 64 1 0 23 65 1 0 24 66 1 1 25 67 1 0 26 68 1 0 26 69 1 0 30 70 1 0 32 71 1 0 32 72 1 0 33 73 1 0 33 74 1 0 34 75 1 0 34 76 1 0 M END