HMDB0304133 RDKit 3D 3-hydroxyadipyl-CoA 97 99 0 0 0 0 0 0 0 0999 V2000 -0.2840 1.0817 -2.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3298 0.2110 -1.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -1.1076 -2.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 0.0313 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.5729 -0.8922 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7224 -0.7412 0.4748 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9375 -1.6283 0.2161 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7791 -1.5345 1.6619 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2967 0.7240 1.0825 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 0.4244 2.3471 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8664 1.1347 3.5978 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3601 -1.2304 2.6725 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.9206 0.9186 2.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 0.3618 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8683 0.9009 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4135 0.3439 -0.3948 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7832 0.3517 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5666 -0.3123 -1.1216 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2869 -1.3378 -1.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3419 -1.6347 -2.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3397 -0.7972 -2.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6227 -0.6641 -2.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1309 -1.5135 -3.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4188 0.2960 -2.3985 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9453 1.1142 -1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6926 0.9755 -0.9535 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8486 0.0328 -1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8297 -0.2947 1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6008 -1.6601 1.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7072 0.4564 1.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2686 1.4666 2.6449 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0119 1.3666 4.2990 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.5961 0.9711 4.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0296 0.1580 4.9063 O 0 0 0 0 0 1 0 0 0 0 0 0 -9.4602 2.8127 5.0527 O 0 0 0 0 0 1 0 0 0 0 0 0 1.5958 0.9292 -1.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 2.1974 -0.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 0.2592 -0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2306 0.8171 0.9698 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9285 -0.9795 -0.2422 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5569 -1.5948 0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 -0.7626 1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7284 -0.5190 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -1.0104 -0.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8723 0.2307 0.8634 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 0.5065 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 -0.7722 -0.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9533 -0.5845 -1.6650 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4108 0.1276 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3722 0.2702 -1.7295 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5897 0.5680 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0314 0.9622 0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4362 1.9793 -0.1486 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9054 -0.2413 0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3691 0.0990 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1596 -1.1437 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6057 -2.2297 0.4543 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5222 -1.0899 0.8853 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5914 2.0699 -2.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 0.5759 -3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 1.2470 -3.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -1.9422 -1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5825 -1.0762 -3.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 -1.3595 -3.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8276 1.0115 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0535 -0.6055 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4423 -0.7460 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8466 0.6687 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 1.9776 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0721 1.4192 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3032 -1.8305 -1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9468 -1.2263 -4.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7083 -2.4533 -4.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5666 1.8832 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7957 -0.1423 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7148 -1.9055 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1768 -0.2554 2.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2696 1.1245 -2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 2.6828 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9845 -1.4687 -1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7421 -1.7852 1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9973 -2.5677 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 0.1857 1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0897 -1.3803 2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.6146 1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5178 1.0186 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6746 1.1944 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9957 -1.3094 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8212 -1.4654 -0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 -0.2211 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9794 1.4827 0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0770 1.3837 1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7039 2.6721 -0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6353 -0.9940 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8789 -0.7658 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6413 0.8510 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4997 0.6087 1.8139 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 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 14 67 1 0 14 68 1 0 15 69 1 0 17 70 1 0 19 71 1 0 23 72 1 0 23 73 1 0 25 74 1 0 28 75 1 0 29 76 1 0 30 77 1 0 36 78 1 0 37 79 1 0 40 80 1 0 41 81 1 0 41 82 1 0 42 83 1 0 42 84 1 0 45 85 1 0 46 86 1 0 46 87 1 0 47 88 1 0 47 89 1 0 51 90 1 0 51 91 1 0 52 92 1 0 53 93 1 0 54 94 1 0 54 95 1 0 55 96 1 0 55 97 1 0 M CHG 5 8 -1 12 -1 34 -1 35 -1 58 -1 M END