HMDB0012248 RDKit 3D L-3-Aminobutyryl-CoA 97 99 0 0 0 0 0 0 0 0999 V2000 12.6489 1.2347 -1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8611 0.1450 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2659 0.1450 -0.2186 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5484 -1.1845 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 -1.1990 -1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7524 -2.2248 -2.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0536 0.1930 -1.5460 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 -0.2216 -2.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7910 -1.3388 -1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6002 -0.9803 -0.0664 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 0.1119 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 0.7944 -0.5388 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6529 0.4078 1.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 1.6046 2.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4315 1.3927 1.4997 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4062 2.3574 1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 3.4421 2.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 2.2125 1.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 3.3937 1.3211 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2562 1.0835 1.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 1.2946 3.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7025 -0.2841 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 1.2427 1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1746 1.1771 -0.2422 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 1.3628 -0.7260 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3760 2.5854 -0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9286 1.6025 -2.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6395 0.0181 -0.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 -0.6752 -1.3458 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2912 -2.1384 -1.4699 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 0.0207 -2.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2408 -0.5469 -0.8298 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0049 -0.3886 -1.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4690 -0.2585 -1.6924 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0244 -1.3507 -1.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3022 -0.8599 -0.7386 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0535 -1.7906 0.0487 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0591 -1.4820 0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5453 -2.5959 1.4743 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8678 -3.6385 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9550 -4.9908 1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8991 -5.5388 2.1737 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0987 -5.7977 0.6154 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1873 -5.2788 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1020 -3.9728 -0.5062 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9265 -3.1267 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9689 0.3971 0.0281 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9846 1.3208 -0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6902 0.8414 -0.6536 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8417 2.0224 -1.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6075 3.1280 -1.0086 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5281 2.5356 -0.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9043 3.5469 -2.5113 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3047 4.4903 -0.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2617 0.8512 -2.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8854 1.9465 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6009 1.7736 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2173 0.2882 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3773 1.0100 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 -0.6636 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7247 -2.0385 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1934 -1.2520 -2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7702 0.6751 -2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6162 -0.5439 -3.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8275 -1.6034 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4335 -2.2356 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 -1.5402 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6393 0.5281 2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1451 -0.4808 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 2.4696 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 1.8179 3.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 0.4889 1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0815 2.0758 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 3.6593 2.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 0.3426 3.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 1.4702 3.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 2.1056 3.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 -1.0077 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4189 -0.6589 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 -0.3295 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 2.1882 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 0.4047 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 2.2295 -2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7695 -0.4402 -3.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8543 -1.2231 -2.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6735 0.5436 -2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0031 -0.0496 -2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7823 -0.5649 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4067 -0.4617 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5329 -6.0939 2.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9323 -5.4310 2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5092 -5.9582 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7932 0.2095 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8399 1.8853 -0.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8137 0.8192 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0882 4.0574 -2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2908 4.4965 -0.3900 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 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 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 36 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 49 34 1 0 46 37 1 0 46 40 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 13 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 18 73 1 0 19 74 1 0 21 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 27 83 1 0 31 84 1 0 33 85 1 0 33 86 1 0 34 87 1 6 36 88 1 6 38 89 1 0 42 90 1 0 42 91 1 0 44 92 1 0 47 93 1 1 48 94 1 0 49 95 1 1 53 96 1 0 54 97 1 0 M END