HMDB0060217 RDKit 3D Hexaglutamyl folate (THF) 131133 0 0 0 0 0 0 0 0999 V2000 5.5358 5.1194 4.6118 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7459 4.4221 3.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7403 3.5110 3.6159 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0107 2.7608 2.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0148 1.7960 2.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2525 2.9414 1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 2.1805 0.3387 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8351 2.2893 -0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1953 1.3787 -1.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 0.0878 -1.7691 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 -0.1751 -1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 0.2213 -2.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 -0.0335 -2.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -0.7020 -1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 -0.9971 -1.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1445 -1.4206 -3.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 -0.9541 -1.1879 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2269 -1.7891 -1.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2989 -1.9062 -1.0917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -2.4996 -2.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3499 -3.2979 -3.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7349 -4.4638 -2.5555 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0919 -4.2382 -1.1958 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9002 -5.1969 -3.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 -5.4804 -4.3854 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9985 -5.5366 -2.4396 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -0.2784 0.0587 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3364 -0.1091 1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1726 1.0450 1.1061 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2355 -1.0655 1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3265 -1.1211 3.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -2.1880 4.1467 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8715 -1.8280 4.1909 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 -2.2295 5.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -2.5429 5.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 -1.9465 6.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -1.3691 0.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2247 -1.2709 1.4361 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -2.6397 0.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -3.7547 1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2506 -3.6063 2.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5996 -5.1110 1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -5.0270 0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2035 -6.4162 0.1493 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3456 -6.2477 -0.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 -6.9993 1.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 -7.3598 2.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -7.1797 1.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2059 1.0015 -0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5928 0.8740 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4178 2.0932 -0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2676 3.1691 -0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5977 2.0448 -1.3687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4555 1.8795 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 1.5069 -1.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 3.1502 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9274 3.6701 -2.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3824 4.9785 -3.2442 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3717 5.4140 -4.2376 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6644 4.9110 -3.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 4.7062 -3.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 5.0772 -5.3315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2912 1.7978 1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7897 2.9493 1.2374 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 1.4391 2.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 2.5619 3.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6361 3.7912 3.1641 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0628 3.4449 2.9896 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5497 4.7111 4.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5789 5.0456 4.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3311 5.1930 4.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -1.0830 -0.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6127 -0.8301 -0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8309 3.2130 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5342 4.0017 0.1815 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2305 3.8798 1.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0108 4.6035 2.4327 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 5.8290 4.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9199 0.9018 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 1.2859 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9503 1.8534 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 -0.7165 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 0.7497 -3.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 0.2952 -3.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 -1.7713 -3.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 -3.2106 -3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1798 -3.7013 -4.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2643 -2.6448 -3.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8738 -5.2109 -2.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1111 -3.9635 -1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 -5.1112 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8913 -6.1322 -1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -2.1282 1.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3271 -0.8255 2.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 -0.1697 3.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3709 -1.4884 3.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3743 -3.1799 3.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -2.1095 5.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9512 -0.7871 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 -1.4264 7.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 -5.3877 2.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 -5.8879 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -4.6487 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -4.2978 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 -7.0890 -0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0989 -5.6785 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 -5.9447 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 -7.3226 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5634 0.5999 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1861 0.1657 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4458 1.6484 -0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 3.9921 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8449 3.0610 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 3.7906 -2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 2.9410 -3.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 5.7819 -2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 6.4374 -4.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 5.1730 -5.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 5.9257 -5.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9827 1.1806 2.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4229 0.5963 3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 2.2378 4.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7877 2.9155 3.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3225 4.3034 2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6097 4.3000 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4330 3.0189 3.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 4.9882 4.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 -1.6414 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2172 -1.1611 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2779 3.3006 -1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2616 5.3024 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 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 22 24 1 0 24 25 2 0 24 26 1 0 17 27 1 0 27 28 1 1 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 27 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 2 0 46 48 1 0 27 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 49 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 2 0 60 62 1 0 49 63 1 0 63 64 2 0 63 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 69 70 2 0 69 71 1 0 14 72 1 0 72 73 2 0 8 74 2 0 74 75 1 0 75 76 2 0 76 77 1 0 77 2 1 0 76 6 1 0 73 11 1 0 1 78 1 0 5 79 1 0 9 80 1 0 9 81 1 0 10 82 1 0 12 83 1 0 13 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 1 23 90 1 0 23 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 6 33 98 1 0 33 99 1 0 36100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 6 45106 1 0 45107 1 0 48108 1 0 50109 1 0 50110 1 0 53111 1 0 56112 1 0 56113 1 0 57114 1 0 57115 1 0 58116 1 1 59117 1 0 59118 1 0 62119 1 0 65120 1 0 65121 1 0 66122 1 0 66123 1 0 67124 1 6 68125 1 0 68126 1 0 71127 1 0 72128 1 0 73129 1 0 74130 1 0 77131 1 0 M END