HMDB0247980 RDKit 3D L-Tryptophan, N-(N(2)-(N-(N-(N-L-methionyl-L-alpha-glutamyl)-L-histidyl)-L-ph... 120123 0 0 0 0 0 0 0 0999 V2000 10.9911 2.7108 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4623 1.3198 -0.7347 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5483 -0.1659 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5021 -0.4627 -1.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6178 0.6527 -1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1563 0.7651 -0.2926 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2983 0.7853 -2.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0735 1.3153 -3.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1582 0.3153 -1.6865 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7751 0.4834 -1.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 0.9212 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8965 1.9153 0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0836 2.1718 1.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6982 3.3146 1.2608 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5545 1.3199 2.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 -0.6470 -2.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 -1.6847 -2.7358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 -0.6457 -1.6903 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 -1.6346 -1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0415 -3.0572 -1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 -3.2709 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 -2.1377 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5377 -2.5167 1.8653 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0095 -3.7172 1.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 -4.1782 0.6672 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4136 -1.1686 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -1.9850 -0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 0.2685 -0.8455 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 1.1270 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0262 1.9304 1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7246 1.0104 2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9609 1.3075 2.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 0.5163 2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 -0.7714 3.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1389 -1.0391 3.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 -0.1925 2.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 0.5298 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0515 0.5615 1.7558 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5597 -0.2305 -0.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -1.0833 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5081 -2.2027 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 -3.4636 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7849 -3.8921 -1.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8442 -4.4003 -0.3746 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8635 -5.7011 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8648 -6.2963 0.6689 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9243 -6.4894 -0.8785 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 -0.1997 -1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 0.5874 -2.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8125 -0.1756 -0.1186 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8746 0.7929 -0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1638 2.0998 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9865 3.2442 -0.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1435 3.7263 -2.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8953 4.8017 -2.1729 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2562 5.0043 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0509 6.0606 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2383 5.9788 1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6623 5.0104 1.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8606 4.0503 1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6985 4.0812 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2080 0.6376 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9966 0.7207 -1.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0229 0.1755 0.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3672 2.4260 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9531 3.1248 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 3.5045 -0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9801 -0.2000 0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1914 -1.0522 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9661 -1.4023 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1264 -0.7966 -2.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1757 1.6322 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -0.1583 -0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4929 1.5119 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4619 -0.3183 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5401 1.3359 -2.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 0.4171 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1182 -0.0788 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 1.9650 1.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7214 2.9902 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2650 0.7186 2.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1841 0.2993 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0856 -1.7796 -2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 -3.8059 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0006 -3.2081 -2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8723 -1.1712 0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2159 -4.0549 2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3595 -5.0927 0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4637 0.7365 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 1.9234 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 2.2875 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3825 2.8696 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 2.2863 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9863 0.6906 2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -1.3883 3.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -2.0369 3.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.6531 2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5578 0.6769 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 -1.5115 -1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6191 -2.0545 0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3601 -2.2547 0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9841 -2.9983 -1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 -4.0990 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3162 -2.9352 -1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6261 -4.5618 -2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8029 -5.9863 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6255 -7.1614 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1464 -6.9708 -0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9599 -6.5900 -1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7802 -0.8921 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8804 1.0811 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4492 2.3150 0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4785 1.8032 -1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6948 3.2688 -3.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1682 5.3728 -3.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4614 6.7553 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8227 6.7872 1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8069 5.0748 2.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4161 3.2833 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5950 -0.7286 1.1435 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 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 10 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 19 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 29 37 1 0 37 38 2 0 37 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 2 3 45 46 1 0 45 47 1 0 40 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 51 62 1 0 62 63 2 0 62 64 1 0 25 21 1 0 36 31 1 0 61 53 1 0 61 56 1 0 1 65 1 0 1 66 1 0 1 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 15 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 22 86 1 0 24 87 1 0 25 88 1 0 28 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 32 93 1 0 33 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 39 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 46106 1 0 46107 1 0 47108 1 0 47109 1 0 50110 1 0 51111 1 0 52112 1 0 52113 1 0 54114 1 0 55115 1 0 57116 1 0 58117 1 0 59118 1 0 60119 1 0 64120 1 0 M END