HMDB0003934 RDKit 3D (S)-3-Hydroxytetradecanoyl-CoA 126128 0 0 0 0 0 0 0 0999 V2000 17.3572 2.3892 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9209 1.9184 -0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9578 0.7174 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5094 0.2524 -1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5797 -0.8745 -2.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 -0.7342 -1.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -0.2927 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6445 -0.3260 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5259 0.4293 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9372 0.1224 -1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4382 -1.3299 -1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4381 -1.5624 -0.3906 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0869 -2.9520 -0.5123 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1690 -0.7738 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3561 -1.0045 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 -1.0524 -2.7596 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5652 -1.2300 -1.5610 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9987 -0.9708 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0687 0.5192 0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1669 1.2600 -0.3732 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 0.9775 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 0.1304 0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7726 1.6479 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 1.7343 -0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 0.5344 -0.3313 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3336 -0.1287 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 0.5053 1.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 -1.4024 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6902 -1.7067 2.6123 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 -1.5741 1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8647 -2.9668 1.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 -1.5918 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2714 -0.5375 1.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9972 0.7429 1.1524 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 1.8835 1.8738 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4581 2.4256 3.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 3.1337 0.7226 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5075 1.0882 2.1084 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4022 1.1471 0.6814 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9012 2.1829 -0.2958 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3816 -0.3440 -0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9834 1.5910 1.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6668 0.4265 1.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0787 0.8711 1.7727 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.6252 1.4642 0.6833 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8874 0.9745 0.4416 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.1229 0.6405 -0.9473 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4505 -0.3436 -1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9045 -0.3987 -2.8696 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8540 0.5228 -3.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6302 0.8893 -4.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4573 0.1899 -5.3583 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.5021 1.8886 -3.9563 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.6379 2.5250 -2.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8784 2.1734 -1.7121 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9801 1.1730 -1.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1731 -0.1337 1.3980 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.1936 0.1895 2.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8953 -0.2992 2.1845 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.0911 -0.2889 3.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5168 -1.6748 4.3087 P 0 0 0 0 0 5 0 0 0 0 0 0 -12.6533 -2.1904 5.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0099 -2.8533 3.2177 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2354 -1.3206 5.3672 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9225 3.3332 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0135 1.6384 1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4591 2.5257 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4050 2.7777 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7747 1.5677 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2799 0.9444 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6587 -0.1009 -0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3951 -0.0087 -2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0652 1.1544 -2.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0357 -1.7827 -1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4913 -1.1373 -3.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6075 -1.7037 -1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6900 0.0035 -2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2273 0.8599 -0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6892 -0.8110 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3884 -1.4288 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7292 0.0017 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 1.5282 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7085 0.4410 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9873 0.7600 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5319 0.3704 -2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0796 -1.5801 -2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -1.9377 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8609 -1.4236 0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9551 -3.4085 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 -0.9581 0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4463 0.3200 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0063 -1.3939 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -1.5331 0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 0.6708 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0778 0.9188 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4427 1.9715 -1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 2.6973 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 1.1601 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 2.4881 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 2.1859 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8098 0.0336 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3774 -2.2073 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8981 -0.9456 3.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8709 -3.1251 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2118 -3.7646 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -2.9873 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0133 -0.6058 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -2.0516 -0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5795 -2.3264 -0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 -0.4624 2.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3411 -0.7438 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4314 3.1843 0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4679 -1.0463 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1585 -0.0384 2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7211 -0.1940 0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0740 1.6101 2.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6125 1.8131 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6931 -0.9834 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2300 -0.3639 -5.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5484 0.2251 -5.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3696 3.3151 -2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3488 -1.0619 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8536 0.4512 3.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3998 -1.2703 1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3276 -3.4426 3.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3585 -1.5109 4.9437 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 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 39 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 51 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 46 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 61 64 1 0 59 44 1 0 56 47 1 0 56 50 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 9 83 1 0 10 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 1 13 89 1 0 14 90 1 0 14 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 23 97 1 0 23 98 1 0 24 99 1 0 24100 1 0 25101 1 0 28102 1 0 29103 1 0 31104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 37112 1 0 41113 1 0 43114 1 0 43115 1 0 44116 1 1 46117 1 1 48118 1 0 52119 1 0 52120 1 0 54121 1 0 57122 1 6 58123 1 0 59124 1 6 63125 1 0 64126 1 0 M END