HMDB0301433 RDKit 3D 5-oxohexanoyl-CoA 100102 0 0 0 0 0 0 0 0999 V2000 14.8156 -5.1354 2.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0301 -4.0907 1.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8012 -4.2644 0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5591 -2.8927 2.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7383 -2.0117 1.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4897 -2.6236 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7798 -1.6237 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -0.5122 0.3065 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2589 -2.0769 -0.3702 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 -0.6256 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 0.4281 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7515 1.6023 -0.9284 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5859 1.5638 -1.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0398 0.4475 -1.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1637 2.8136 -2.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 2.9233 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6469 2.9213 -2.2567 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 2.0368 -1.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4028 0.9258 -1.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 2.4554 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2927 3.6882 -1.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6647 1.3701 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1526 0.1583 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 0.9507 -2.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 1.8588 -0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 2.9379 -1.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 3.5336 -0.8120 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5321 4.8755 -0.1158 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5305 3.7790 -2.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4634 2.4268 0.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1027 2.8372 0.1847 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2658 3.8961 1.2773 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5019 3.5223 -1.3032 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0462 1.5239 0.5845 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2438 1.4733 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0949 0.2997 0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3954 -0.8585 -0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5861 -1.7420 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8429 -2.4094 0.8426 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7648 -2.8186 1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7974 -3.4054 1.0925 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5514 -3.3831 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2805 -3.8503 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5310 -4.4846 -1.1218 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7243 -3.6578 -2.5279 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5375 -3.0565 -2.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8658 -2.6205 -1.6373 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3323 -2.7625 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5472 -0.8092 2.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9451 -1.3375 3.4062 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5113 0.2700 1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3787 1.4567 2.3602 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8793 1.9164 2.9823 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.1387 1.0439 4.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1258 1.6017 1.8823 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8787 3.5389 3.4599 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4958 -6.1605 2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5775 -5.0904 3.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8904 -4.9566 2.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9728 -3.2184 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4291 -2.2724 3.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 -1.0614 2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3777 -1.7452 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8322 -2.9348 2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6441 -3.5096 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4978 -0.2440 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 -0.9327 -1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4531 -0.0551 0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0724 0.6534 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2365 2.4985 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9766 3.1455 -3.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2668 3.6405 -1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7317 2.1039 -3.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8827 3.8470 -3.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0777 3.8930 -2.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9566 2.5899 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9103 3.6239 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 -0.3781 0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 0.4143 0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6316 -0.5974 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3188 0.2857 -2.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 1.8383 -3.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 0.4574 -2.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 2.0910 0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4158 1.0358 -0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3995 2.9678 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6336 2.8062 -1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7948 2.4270 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0276 1.5416 -1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9937 0.2851 -0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7279 -2.4359 1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7141 -2.7062 2.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8288 -5.2385 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1382 -4.1918 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1287 -2.9246 -3.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5564 -0.3507 2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1986 -1.3842 4.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5515 -0.0873 1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0568 2.1871 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4089 4.1190 2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 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 20 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 43 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 38 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 51 36 1 0 48 39 1 0 48 42 1 0 1 57 1 0 1 58 1 0 1 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 20 76 1 0 21 77 1 0 23 78 1 0 23 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 29 86 1 0 33 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 38 91 1 0 40 92 1 0 44 93 1 0 44 94 1 0 46 95 1 0 49 96 1 0 50 97 1 0 51 98 1 0 55 99 1 0 56100 1 0 M END