HMDB0301543 RDKit 3D 2-Ethyl-2-hydroxybutanedioyl-CoA 102104 0 0 0 0 0 0 0 0999 V2000 13.3684 -1.0146 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4749 -0.5273 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2377 0.1581 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4603 0.5538 -1.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7135 1.3044 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4853 2.3230 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6896 2.1168 -0.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9834 3.5918 -0.2474 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6126 -0.8829 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0964 -0.9311 1.9991 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3186 -1.9419 0.3711 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2178 -1.3435 -0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3672 -0.2345 -0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -0.6080 0.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 -1.5745 0.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -2.1405 -0.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6821 -1.8811 1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4536 -2.7053 1.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -2.2635 0.4554 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.9462 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -0.0284 1.0764 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5162 -0.6582 -1.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -1.8157 -1.6993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3041 0.1604 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 1.5248 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3653 0.3576 -2.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 -0.5470 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4631 -0.9084 1.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -1.6645 2.0924 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2692 -0.7053 3.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 -2.9594 2.9441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9607 -2.2900 1.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 -1.2097 0.4763 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3360 -0.9180 -0.9942 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8728 0.2721 1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -1.4456 0.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3172 -0.3783 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0170 0.1666 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7957 -0.5028 -1.4896 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5885 0.4848 -2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8455 0.5473 -1.4299 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8261 1.4423 -1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8137 1.0913 -0.6043 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4197 -0.0628 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9998 -0.8948 0.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2499 -0.5206 1.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3075 -1.9686 1.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1084 -2.2842 0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5092 -1.5258 -0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1949 -0.4157 -0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8564 1.7861 -1.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4808 2.9391 -2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6116 1.5683 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7475 2.4768 0.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6409 3.4357 1.1921 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.1133 3.3236 2.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6070 5.0606 0.7104 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2753 2.9645 1.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1078 -1.7941 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8246 -1.5953 1.1867 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0.3577 1.5769 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 2.1295 -0.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 -0.6111 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 1.0689 -2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 0.7403 -2.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0935 -1.4545 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5755 0.2137 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7001 -3.4655 3.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9616 1.0356 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0298 -0.9041 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7632 0.3547 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1103 0.4925 -1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 0.2168 -3.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8568 2.3238 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4517 -0.4309 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0672 -0.3410 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5981 -3.1897 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8044 1.7107 -2.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7510 3.6588 -2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5977 1.4739 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2722 5.1495 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8472 3.5603 0.6676 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 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 3 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 33 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 45 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 40 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 53 38 1 0 50 41 1 0 50 44 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 8 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 17 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 22 78 1 0 23 79 1 0 25 80 1 0 25 81 1 0 25 82 1 0 26 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 31 88 1 0 35 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 40 93 1 0 42 94 1 0 46 95 1 0 46 96 1 0 48 97 1 0 51 98 1 0 52 99 1 0 53100 1 0 57101 1 0 58102 1 0 M END