HMDB0300806 RDKit 3D 6-Methyltetracosanoyl-CoA 158160 0 0 0 0 0 0 0 0999 V2000 20.1519 -2.7544 -2.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9648 -1.9775 -1.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3889 -0.5795 -1.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2397 0.1307 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7153 1.5037 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3525 1.6663 -1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3545 0.8493 -0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9889 1.0929 -1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9541 0.2717 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9364 0.5413 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9093 -0.2876 1.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4819 0.0269 1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1609 1.4156 1.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8678 2.0478 1.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6074 1.4701 2.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0795 0.2346 1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8818 -0.3894 2.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5655 0.2713 2.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 1.5072 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 1.5201 4.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 2.8183 2.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7539 3.0305 1.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 2.1914 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0087 2.6622 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 2.4754 0.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2473 1.7983 1.9633 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6554 3.1374 0.9028 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 3.8686 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 2.7578 -1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 1.8134 -1.2203 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 0.6120 -1.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 0.3444 -3.0306 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -0.3632 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 -1.6591 -2.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3181 -2.6643 -1.6915 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3038 -3.1577 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4046 -2.6516 0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2155 -4.1637 0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7031 -4.5744 1.4565 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6212 -3.6458 0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5186 -4.7134 0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4926 -2.5713 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1575 -3.0024 -0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4707 -2.5460 -0.5491 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0202 -1.8297 -2.0111 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.3470 -2.9685 -2.9445 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7255 -0.9866 -2.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3217 -0.8350 -1.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0769 -1.3028 -0.2415 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.6575 -2.7090 0.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6539 -0.2728 1.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7509 -1.2892 -0.4099 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1188 0.0681 -0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6507 0.1209 -0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1443 -0.4601 0.4473 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.3896 -0.9302 0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3244 0.1910 0.2946 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.6771 1.1309 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5756 1.9443 0.0165 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.8008 1.5456 1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5919 2.0004 2.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4285 3.1467 2.1589 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.5705 1.3287 3.4931 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.7795 0.2335 3.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0265 -0.1859 2.6443 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.0029 0.4346 1.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3371 -1.3956 -1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3288 -2.7834 -1.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0779 -0.7881 -1.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4021 -0.1510 -3.0145 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6296 -0.8483 -4.3514 P 0 0 0 0 0 5 0 0 0 0 0 0 -13.9839 -2.1494 -4.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.8462 -1.1537 -5.5123 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5593 0.2695 -5.0555 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3403 -2.6458 -3.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3058 -3.8188 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1122 -2.4171 -3.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2782 -2.4883 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9751 -1.9029 -1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0632 -0.0605 -2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4278 -0.7307 -2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2369 0.1531 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6126 -0.5145 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4457 2.1866 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6562 1.8637 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3324 1.3397 -2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0300 2.7202 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6137 -0.2200 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3961 1.2251 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7510 2.1825 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9489 0.8039 -2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1981 -0.8034 -0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9416 0.4152 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7974 1.6046 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9582 0.2874 1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9343 -0.0244 2.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0703 -1.3766 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8638 -0.7234 1.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3898 -0.2527 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9331 2.0782 1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4888 1.5784 2.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9649 3.1329 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 2.1986 0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7606 1.2802 3.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8313 2.2519 2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8759 -0.5187 1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7459 0.5324 0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 -0.9213 2.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6848 -1.3221 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 0.4920 1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -0.5320 2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 1.2689 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8755 1.8988 4.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6769 0.5177 4.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2084 2.2783 4.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0907 3.5951 3.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8730 3.1858 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 4.1308 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9821 2.9498 2.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1474 1.1420 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0793 2.1339 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 3.7152 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 2.1001 -1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3271 4.5866 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 4.3437 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2599 2.3459 -2.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6247 3.2714 -2.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 1.9606 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 -0.5012 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4529 0.1226 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3516 -2.0644 -2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 -1.4295 -3.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0014 -3.0369 -2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2003 -5.0728 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7389 -4.3757 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1095 -5.2082 0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9338 -5.4557 1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2161 -4.2534 1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4469 -2.0163 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6787 -1.8698 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2680 -3.1442 2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5079 -2.0935 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1877 -3.6451 -1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9499 -0.0534 -2.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7916 -0.7063 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8223 0.5616 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5973 0.5574 -1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0156 1.1426 -0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7034 -1.7778 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2954 1.1955 -1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.9143 3.5163 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.5283 3.5813 1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8058 -0.2687 4.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2505 -1.0530 -1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7706 -3.2394 -0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3292 -1.6012 -1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4826 -0.9950 -6.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4035 0.9738 -4.3754 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 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 61 62 1 0 61 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 56 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 2 0 71 73 1 0 71 74 1 0 69 54 1 0 66 57 1 0 66 60 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 3 81 1 0 4 82 1 0 4 83 1 0 5 84 1 0 5 85 1 0 6 86 1 0 6 87 1 0 7 88 1 0 7 89 1 0 8 90 1 0 8 91 1 0 9 92 1 0 9 93 1 0 10 94 1 0 10 95 1 0 11 96 1 0 11 97 1 0 12 98 1 0 12 99 1 0 13100 1 0 13101 1 0 14102 1 0 14103 1 0 15104 1 0 15105 1 0 16106 1 0 16107 1 0 17108 1 0 17109 1 0 18110 1 0 18111 1 0 19112 1 0 20113 1 0 20114 1 0 20115 1 0 21116 1 0 21117 1 0 22118 1 0 22119 1 0 23120 1 0 23121 1 0 24122 1 0 24123 1 0 28124 1 0 28125 1 0 29126 1 0 29127 1 0 30128 1 0 33129 1 0 33130 1 0 34131 1 0 34132 1 0 35133 1 0 38134 1 0 39135 1 0 41136 1 0 41137 1 0 41138 1 0 42139 1 0 42140 1 0 42141 1 0 43142 1 0 43143 1 0 47144 1 0 51145 1 0 53146 1 0 53147 1 0 54148 1 0 56149 1 0 58150 1 0 62151 1 0 62152 1 0 64153 1 0 67154 1 0 68155 1 0 69156 1 0 73157 1 0 74158 1 0 M END