HMDB0062371 RDKit 3D 3-Oxohexacosanoyl-CoA 160162 0 0 0 0 0 0 0 0999 V2000 -19.1164 4.0777 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0573 3.2821 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2001 1.8619 0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7765 1.2662 0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7855 -0.1335 1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6379 -0.9872 1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6490 -1.3625 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5870 -0.4914 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8452 0.7444 -0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6634 1.4404 -1.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8325 0.8692 -2.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0810 -0.3856 -2.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1632 -0.3363 -1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4163 -1.6391 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5275 -1.6267 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4896 -0.5623 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5248 -0.6428 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8306 -1.9642 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0713 -2.4344 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8903 -1.7516 0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0113 -0.3744 1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 0.0503 1.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5849 0.0206 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2621 0.3760 1.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 1.5121 1.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5214 -0.7905 1.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -1.3222 1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2247 -0.7815 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 -2.8393 1.5101 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5635 -3.3067 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7209 -2.3189 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 -2.7122 -0.6077 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 -1.9946 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3571 -2.6426 -2.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 -0.5264 -1.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 0.0365 -0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 -0.3627 0.5946 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7162 -1.1519 1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6702 -1.3719 2.4688 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7517 -1.8636 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 -3.2426 0.5222 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1482 -1.3858 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3673 -1.6258 2.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1799 -2.1915 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3543 0.0543 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 0.8592 1.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6880 2.4761 0.5705 P 0 0 0 0 0 5 0 0 0 0 0 0 9.2024 3.1816 1.8052 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2215 3.1890 0.1303 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8106 2.5726 -0.7067 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7693 3.9489 -0.4365 P 0 0 0 0 0 5 0 0 0 0 0 0 10.7923 4.7473 -1.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0368 4.9415 0.7245 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 3.5490 -0.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1195 3.1519 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5284 2.8026 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3801 2.4059 -1.5916 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2060 1.0383 -1.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4056 0.3790 -2.1947 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7426 0.0478 -3.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9332 -0.5537 -3.4979 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3766 -0.6103 -2.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5234 -1.1113 -1.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5256 -1.7124 -2.4626 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6959 -1.0272 -0.3506 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7700 -0.4604 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6634 0.0210 -0.0897 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4360 -0.0346 -1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4936 0.4688 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1008 -0.6279 -0.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3681 1.6430 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3517 1.5568 1.2781 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8413 1.6573 2.8623 P 0 0 0 0 0 5 0 0 0 0 0 0 13.3577 1.4734 3.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5972 0.4282 3.7479 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3617 3.1361 3.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0651 4.0007 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4050 5.1449 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1083 3.6480 2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6712 3.2504 -0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.0322 3.8296 0.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.8787 1.3250 0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.4987 1.8012 1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1342 1.9373 1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5290 1.3501 -0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3966 -0.1594 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5351 -0.6915 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0674 -1.9936 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0393 -0.6050 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1266 -2.3482 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1549 -1.8527 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9188 -0.2455 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8676 -1.1646 -0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6358 0.6264 -1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2882 1.4916 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9935 1.8095 -0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0662 2.4542 -1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4813 0.6896 -3.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0703 1.6691 -2.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3477 -0.4090 -3.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6228 -1.3065 -2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4654 0.5245 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7266 -0.1543 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8572 -1.8897 -1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1800 -2.4302 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1364 -1.5372 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0154 -2.6192 0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9297 -0.6311 1.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0070 0.4390 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8546 0.1849 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1370 -0.6113 -1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0973 -1.8874 -1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5401 -2.7676 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7700 -2.6237 1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7987 -3.5337 -0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4407 -2.4126 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1148 -1.7096 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7375 -0.2846 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2105 0.3845 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -0.6024 2.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7468 1.0873 2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4127 -0.9164 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 0.7964 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9819 -0.4837 2.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2367 -1.5714 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8829 -4.3504 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -3.2505 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 -1.2981 0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 -2.4060 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -2.8732 -3.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -0.0870 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4074 -0.1418 -2.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5974 1.1600 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4912 -0.2316 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8117 -1.7139 2.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6489 -1.7278 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7924 -3.4199 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9154 -0.8038 2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4349 -1.7419 2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8047 -2.5496 2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3863 -3.1509 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1111 -1.6355 -0.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -2.4002 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2626 0.1797 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3629 0.3358 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 3.8579 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6599 5.2115 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1509 3.9784 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6398 2.2845 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8892 3.7222 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4800 0.9607 -2.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1579 0.2244 -4.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2787 -2.3317 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5179 -1.5203 -3.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9913 -0.4319 1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4395 0.1790 -0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4001 -1.2864 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3590 1.7191 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9350 0.7437 4.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5874 3.7870 2.8220 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 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 3 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 3 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 42 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 2 0 63 64 1 0 63 65 1 0 65 66 2 0 66 67 1 0 67 68 2 0 58 69 1 0 69 70 1 0 69 71 1 0 71 72 1 0 72 73 1 0 73 74 2 0 73 75 1 0 73 76 1 0 71 56 1 0 68 59 1 0 68 62 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 0 2 81 1 0 3 82 1 0 3 83 1 0 4 84 1 0 4 85 1 0 5 86 1 0 5 87 1 0 6 88 1 0 6 89 1 0 7 90 1 0 7 91 1 0 8 92 1 0 8 93 1 0 9 94 1 0 9 95 1 0 10 96 1 0 10 97 1 0 11 98 1 0 11 99 1 0 12100 1 0 12101 1 0 13102 1 0 13103 1 0 14104 1 0 14105 1 0 15106 1 0 15107 1 0 16108 1 0 16109 1 0 17110 1 0 17111 1 0 18112 1 0 18113 1 0 19114 1 0 19115 1 0 20116 1 0 20117 1 0 21118 1 0 21119 1 0 22120 1 0 22121 1 0 23122 1 0 23123 1 0 26124 1 0 26125 1 0 30126 1 0 30127 1 0 31128 1 0 31129 1 0 34130 1 0 35131 1 0 35132 1 0 36133 1 0 36134 1 0 39135 1 0 40136 1 0 41137 1 0 43138 1 0 43139 1 0 43140 1 0 44141 1 0 44142 1 0 44143 1 0 45144 1 0 45145 1 0 49146 1 0 53147 1 0 55148 1 0 55149 1 0 56150 1 0 58151 1 0 60152 1 0 64153 1 0 64154 1 0 66155 1 0 69156 1 0 70157 1 0 71158 1 0 75159 1 0 76160 1 0 M END