HMDB0241943 RDKit 3D N-Stearoyl Histidine 73 73 0 0 0 0 0 0 0 0999 V2000 10.0905 -0.5010 -1.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -0.4358 -1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7996 0.4618 -1.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4976 0.5250 -0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7133 1.0634 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 1.1825 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4214 2.0854 0.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 1.9684 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 0.6514 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 0.2082 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 1.1464 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0705 0.5662 1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6054 -0.7832 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 -0.7653 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 -2.1701 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 -2.7058 0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 -1.9132 1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 -1.8270 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6207 -2.4091 -1.0591 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1277 -1.0927 0.0879 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0067 -1.0128 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1143 0.4374 -1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6653 1.1824 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0172 1.3575 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1322 2.0591 1.0452 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8958 2.3026 1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9837 1.7597 0.6965 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3360 -1.5459 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5429 -1.9720 0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4154 -1.6028 -1.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7686 -1.1821 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4993 0.5076 -1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8144 -0.8784 -2.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3922 -1.4359 -0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1518 -0.0093 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1883 1.4535 -1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5714 -0.0206 -2.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1304 -0.5471 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 1.0342 -1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2840 2.0314 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4852 0.3621 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 1.5127 2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 0.1288 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 2.1203 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8267 3.1471 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1087 2.4190 -1.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7351 2.6790 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 -0.1778 -0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 0.7677 -1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5581 -0.7479 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -0.0791 1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3239 1.3732 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 2.1158 1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8912 1.2375 1.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 0.4359 2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2998 -1.0889 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 -1.5770 1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 -0.0139 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -0.5173 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9656 -2.8043 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 -2.2381 -1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2178 -2.9117 1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1234 -3.7198 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 -0.9199 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5734 -2.4748 1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4089 -0.5944 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5688 -1.5847 -1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0885 0.8120 -1.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7744 0.5923 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8285 1.0209 -0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 2.8603 2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9598 1.8052 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2091 -1.3863 -2.5045 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 21 28 1 0 28 29 2 0 28 30 1 0 27 23 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 12 55 1 0 13 56 1 0 13 57 1 0 14 58 1 0 14 59 1 0 15 60 1 0 15 61 1 0 16 62 1 0 16 63 1 0 17 64 1 0 17 65 1 0 20 66 1 0 21 67 1 0 22 68 1 0 22 69 1 0 24 70 1 0 26 71 1 0 27 72 1 0 30 73 1 0 M END