HMDB0242077 RDKit 3D N-Eicosapentaenoyl Phenylalanine 72 72 0 0 0 0 0 0 0 0999 V2000 -11.7368 1.1317 -2.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2731 -0.1298 -2.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1698 0.0635 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6144 1.2238 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4995 1.2113 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3150 1.7496 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1712 1.1438 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 -0.2211 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6769 -0.2007 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 0.9390 0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 0.9951 1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5826 -0.3704 2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4791 -0.9999 1.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -0.3858 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8594 -0.4232 1.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4988 0.6505 2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 0.6886 3.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -0.6416 3.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8265 -1.4110 2.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9715 -0.7342 1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4622 0.2742 2.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 -1.1844 0.4079 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6569 -0.5424 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5702 -1.6127 -0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -1.0536 -1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 -0.8567 -2.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8045 -0.3358 -3.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 -0.0007 -2.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9448 -0.2159 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8612 -0.7338 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1036 0.3180 -1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 0.3103 -1.5788 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 1.0951 -2.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1291 1.3978 -3.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7648 1.9628 -2.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7851 0.9462 -3.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9453 -0.8143 -3.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0935 -0.6829 -1.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8068 -0.8377 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9018 2.1751 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3858 0.2357 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8175 1.9147 0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4347 2.7887 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 1.6573 -1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7146 -0.7579 0.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6103 -0.8481 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 -1.1473 0.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4824 1.8658 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 1.5692 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 1.6173 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3452 -0.9149 2.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3521 -2.0640 2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5888 0.6648 0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 -0.9313 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.3985 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 1.6322 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3821 1.1294 4.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4674 1.4028 2.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 -0.5629 4.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4496 -1.2621 3.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -1.6757 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2132 -2.3931 2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0900 -2.0267 -0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 0.1187 0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9657 -2.2026 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 -2.2793 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8244 -1.1149 -3.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7888 -0.1780 -4.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8276 0.4098 -3.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8537 0.0469 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8565 -0.9023 0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 1.7187 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 3 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 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 23 31 1 0 31 32 2 0 31 33 1 0 30 25 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 16 56 1 0 17 57 1 0 17 58 1 0 18 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 22 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 26 67 1 0 27 68 1 0 28 69 1 0 29 70 1 0 30 71 1 0 33 72 1 0 M END