HMDB0062352 RDKit 3D 3-Hydroxypentanoyl-CoA 102104 0 0 0 0 0 0 0 0999 V2000 1.0944 1.4093 -2.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0037 0.0691 -1.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9806 -0.9068 -2.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3853 -0.4793 -1.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.7253 -1.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9548 -2.4397 -1.1488 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2092 -3.1004 -2.4819 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 -3.6433 0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 -1.3246 -0.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1465 -1.7856 0.4099 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3771 -1.7556 1.7167 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6226 -3.3973 0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 -0.8065 0.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 0.4013 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4838 1.2398 1.1127 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0293 1.5323 -0.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3933 1.7106 0.1203 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1483 1.7769 -1.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7707 1.5133 -2.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7981 1.7000 -3.2049 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8387 2.0908 -2.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1349 2.4154 -2.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5575 2.3692 -4.2021 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0245 2.7916 -1.8956 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6282 2.8378 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3733 2.5228 -0.2447 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4418 2.1406 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7172 0.5034 0.9719 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9091 0.6986 1.6744 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5249 0.4802 1.9020 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8907 1.1779 3.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6597 0.1245 4.3729 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.2906 0.4501 4.9567 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5999 -1.4703 3.8537 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7975 0.3575 5.5724 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 0.1162 -0.1085 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2536 -1.1840 0.3694 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 0.5121 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2899 1.7182 -0.4775 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 -0.2709 0.6157 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0254 -0.0761 0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 -1.3026 1.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5258 -2.4574 0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2051 -2.8628 0.2746 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -3.1121 -0.0273 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8919 -2.8188 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6859 -3.3433 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4408 -3.0647 -0.9619 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9877 -1.4141 -1.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2119 -1.2032 -1.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1212 -0.3180 -1.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6712 1.0705 -1.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6207 1.9223 -2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7311 1.5474 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5554 0.7589 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4910 1.4300 2.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1431 0.9117 3.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7235 2.5646 2.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 2.2421 -1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 1.6356 -2.5473 H 0 0 0 0 0 0 0 0 0 0 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5.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7912 0.8536 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 -1.2579 1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0771 1.7918 -1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 0.7403 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5553 0.2381 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1326 -1.4879 2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7345 -1.1252 1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 -3.8487 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1689 -3.3529 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9743 -1.7423 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 -4.4686 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2786 -2.9768 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -0.3561 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8468 -0.4331 -2.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5832 1.1965 -2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0585 2.5116 -2.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6568 1.6153 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1421 2.5952 -0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1550 -0.2672 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6171 0.7578 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0570 3.4016 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 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 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 2 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 2 3 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 3 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 59 1 0 1 60 1 0 1 61 1 0 3 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 8 67 1 0 12 68 1 0 14 69 1 0 14 70 1 0 15 71 1 1 17 72 1 1 19 73 1 0 23 74 1 0 23 75 1 0 25 76 1 0 28 77 1 6 29 78 1 0 30 79 1 1 34 80 1 0 35 81 1 0 36 82 1 1 37 83 1 0 39 84 1 0 41 85 1 0 41 86 1 0 42 87 1 0 42 88 1 0 44 89 1 0 46 90 1 0 46 91 1 0 47 92 1 0 47 93 1 0 51 94 1 0 51 95 1 0 52 96 1 0 53 97 1 0 54 98 1 0 54 99 1 0 55100 1 0 55101 1 0 58102 1 0 M END