HMDB0060372 RDKit 3D 3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA 115117 0 0 0 0 0 0 0 0999 V2000 13.5016 -1.2926 1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0496 -0.9279 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0703 -2.0428 1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7398 0.3318 1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3673 0.8903 1.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1553 1.9046 0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2409 1.3238 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5057 0.7555 -1.0544 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1957 2.4629 -1.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9652 3.2800 -1.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 4.2946 -2.6065 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8686 3.0486 -1.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1503 0.3237 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 -0.3439 -2.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8510 -0.1215 -3.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8533 -1.5734 -2.6891 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -1.5526 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6921 -0.3734 -1.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 -0.3345 -0.5433 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3887 0.7798 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0381 1.9320 -0.4065 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3602 0.8459 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8460 -0.5728 1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 -1.1523 0.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1621 -1.0876 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 -1.8445 -1.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0373 -0.3211 0.1880 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2584 0.2536 1.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2303 -1.1825 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 -1.6566 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -2.3059 1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 -0.1945 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 0.7545 -0.3501 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5328 1.8932 0.0041 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8939 3.0681 0.7369 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7052 1.1769 0.9703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2412 2.4922 -1.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5924 1.5831 -1.8466 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.1306 0.4133 -2.7079 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6183 2.5872 -2.7536 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3515 0.9648 -0.4949 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0769 -0.1599 -0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7328 -0.6484 0.4512 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5735 0.3269 0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3445 -0.3267 1.9279 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.5835 0.4072 2.1094 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3169 0.4286 3.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4059 1.2089 3.0629 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3826 1.6979 1.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2245 2.5334 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4099 3.0792 1.6823 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9078 2.8402 -0.1394 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7927 2.3486 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9639 1.5321 -0.0441 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2330 1.1903 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5807 -1.7343 1.4024 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1190 -2.7002 2.2793 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7529 -1.7448 0.1220 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0710 -2.9200 -0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3060 -3.5629 -1.6196 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9805 -3.5857 -2.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8709 -5.1438 -1.4671 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3720 -2.6479 -2.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0797 -0.5756 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6534 -2.3281 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7308 -1.1361 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5540 -2.9300 1.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1552 -1.8047 1.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7819 -2.3038 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5415 1.0879 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5791 0.1408 1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3618 1.4811 2.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9227 2.6933 0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1847 2.3920 0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3782 -0.1354 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4522 2.1554 -2.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0362 3.1541 -1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4697 3.8276 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3189 -0.4773 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1767 0.7556 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1174 -1.5512 -0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9237 -2.4642 -1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 0.6014 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1698 -0.5587 -2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 2.7701 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 1.5187 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8182 1.2572 1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 -0.5273 2.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7726 -1.1393 1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7546 -2.0610 -2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2707 0.5144 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 1.2017 1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -0.9846 -1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6528 -1.6551 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 -2.6699 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9807 -2.3608 1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -2.0687 1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9432 -3.2967 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 0.3340 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 -0.6777 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 1.2624 1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4574 2.6649 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7866 -0.0107 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3311 -0.9530 -1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 -1.0061 1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8264 -0.3518 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0578 -0.1087 4.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3396 2.7811 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3378 3.7652 2.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5373 2.6021 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6545 -1.8253 1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1111 -2.3681 3.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3426 -1.3988 -0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5246 -5.1769 -0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3030 -2.9541 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 7 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 3 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 41 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 2 0 48 49 1 0 49 50 2 0 50 51 1 0 50 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 45 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 60 63 1 0 58 43 1 0 55 46 1 0 55 49 1 0 1 64 1 0 1 65 1 0 1 66 1 0 3 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 26 90 1 0 27 91 1 6 28 92 1 0 30 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 36101 1 0 40102 1 0 42103 1 0 42104 1 0 43105 1 1 45106 1 1 47107 1 0 51108 1 0 51109 1 0 53110 1 0 56111 1 6 57112 1 0 58113 1 6 62114 1 0 63115 1 0 M END