HMDB0001290 RDKit 3D Glutaconyl-CoA 96 98 0 0 0 0 0 0 0 0999 V2000 0.9137 3.1246 2.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 1.8685 1.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4884 1.4557 3.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8317 0.8728 1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 0.6292 2.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 -0.3653 1.5924 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7469 -1.5324 0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3972 -0.9870 2.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 0.4843 0.4365 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 -0.4448 -0.8642 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5328 -1.8861 -0.5294 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8366 0.0417 -2.2045 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3853 -0.2039 -1.2601 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2352 -1.1914 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6457 -0.8532 -1.2110 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5558 -1.8634 -0.8108 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7555 -1.2640 -1.1900 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8973 -1.9114 -0.5884 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9341 -2.9520 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2087 -3.2326 0.5881 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0087 -2.3743 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3773 -2.2412 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2430 -3.0871 0.6753 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9277 -1.2880 -0.8393 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1185 -0.4956 -1.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7835 -0.6068 -1.5432 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1722 -1.5578 -0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6750 0.1954 -0.7554 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9415 0.9914 -1.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1871 0.2971 -0.3893 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6506 1.5219 -0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1502 2.1881 0.8303 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0978 1.3280 1.4813 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6012 3.7501 0.5189 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5244 2.2153 1.8357 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 2.3771 0.8619 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4466 3.4988 1.5354 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9106 1.4581 0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0088 1.5430 1.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 0.3928 -0.3293 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0471 -0.3948 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1359 -1.4217 -1.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 -2.0159 -1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5907 -3.1859 -0.8556 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5176 -1.0178 -1.3218 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4217 -0.0561 -1.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0932 0.3582 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1660 1.7245 -0.4909 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6278 1.3083 -1.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8110 1.8016 -2.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6291 0.4345 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4920 -0.1021 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6035 -1.0064 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7044 -1.0179 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4385 0.0364 -0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 -1.9707 -0.9453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6763 3.1097 3.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4731 4.0506 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 3.1221 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5743 1.7814 3.1444 H 0 0 0 0 0 0 0 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 3.0354 0.2714 -0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1873 -0.8806 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9461 0.3056 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 -2.2478 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2055 -1.0657 -2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -1.9112 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2688 -0.1931 -2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9118 0.9343 -1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 0.6393 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 -0.5736 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5385 0.1844 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6349 0.0939 1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2262 -2.0138 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9082 -0.5426 1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5495 -2.8125 -1.2003 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 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 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 2 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 57 1 0 1 58 1 0 1 59 1 0 3 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 8 65 1 0 12 66 1 0 14 67 1 0 14 68 1 0 15 69 1 6 17 70 1 6 19 71 1 0 23 72 1 0 23 73 1 0 25 74 1 0 28 75 1 1 29 76 1 0 30 77 1 1 34 78 1 0 35 79 1 0 36 80 1 6 37 81 1 0 40 82 1 0 41 83 1 0 41 84 1 0 42 85 1 0 42 86 1 0 45 87 1 0 46 88 1 0 46 89 1 0 47 90 1 0 47 91 1 0 51 92 1 0 52 93 1 0 53 94 1 0 53 95 1 0 56 96 1 0 M END