HMDB0062260 RDKit 3D 3S-hydroxydodecanoyl-CoA 120122 0 0 0 0 0 0 0 0999 V2000 11.1991 2.3439 2.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3410 1.3425 2.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5137 0.9740 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6524 -0.0181 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8364 -0.3644 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6252 -0.9943 -1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2808 -2.2810 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0638 -2.9705 -1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8441 -2.0981 -0.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6257 -2.7746 -1.5395 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8249 -3.0232 -2.8831 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3984 -1.8710 -1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1784 -1.6293 0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7936 -0.7065 0.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -2.5717 1.1252 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 -3.6741 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 -2.9483 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 -2.2314 0.3573 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 -1.3043 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4059 -1.3466 1.6564 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 -0.0770 1.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7478 1.1975 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5241 1.4199 -0.2881 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 1.3329 -0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 1.6411 -2.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1233 0.9471 -0.5334 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3693 -0.1990 -1.1428 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 2.1070 -0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 2.6089 -2.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 3.2168 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2256 1.5967 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 2.6081 -0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6872 2.1127 0.2071 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6879 3.2271 0.1538 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5243 1.5729 1.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2653 0.8514 -0.7501 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2179 -0.2288 0.0967 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9122 -1.6331 -0.4295 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7391 -0.2206 1.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8688 0.0969 -0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1099 0.6216 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5900 0.9143 -1.4740 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.3719 -0.2260 -1.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4479 0.1143 -0.5298 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.1481 -1.0030 0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8320 -1.7129 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7482 -2.6901 1.2772 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6555 -2.6197 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7684 -3.3889 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1423 -4.4883 0.8795 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.4914 -3.0520 -1.0602 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1153 -2.0199 -1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0266 -1.2752 -1.5724 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.2512 -1.5558 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7416 0.9423 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6286 1.6354 1.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9706 1.8813 -0.3875 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9239 2.5163 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2447 4.1944 0.0992 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1441 5.0282 0.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7186 4.4587 0.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4470 4.5929 -1.5399 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2138 2.8755 3.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3552 3.0793 1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2504 1.8304 2.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9730 0.4495 3.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2548 1.7452 2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5768 0.5752 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7747 1.9074 0.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4320 -0.9470 1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6087 0.4449 1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7244 -1.0417 -0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1370 0.5314 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7933 -0.2654 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8011 -1.1786 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0246 -2.0516 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1265 -2.9796 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2242 -3.2840 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8851 -3.8637 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6694 -1.9765 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9951 -1.0989 -1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4651 -3.7301 -0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4049 -2.3318 -3.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6247 -0.8896 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 -2.3456 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4731 -4.3051 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5342 -4.3391 -0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2884 -2.3862 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2594 -3.8104 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3678 -1.2766 2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 -0.1301 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -0.0884 2.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3533 2.0580 1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7813 1.1896 1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 2.5970 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 0.7584 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8977 0.0139 -1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0535 2.9378 -2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 3.5571 -2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 1.8354 -2.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1313 2.8419 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 3.8571 -0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2427 3.8307 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 1.3031 0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 0.6745 -0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1997 2.0052 2.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0715 -0.9198 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7265 -0.0054 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5719 1.5801 -1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8219 1.3078 -2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1304 0.8495 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0020 -1.5743 1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1010 -4.4392 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4658 -5.3581 0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7093 -1.7544 -2.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0449 0.2759 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9659 0.9985 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7298 2.5712 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4419 4.1703 0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3853 4.8200 -1.7490 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 3 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 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 2 0 37 39 1 0 37 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 49 50 1 0 49 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 44 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 59 62 1 0 57 42 1 0 54 45 1 0 54 48 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 9 81 1 0 10 82 1 1 11 83 1 0 12 84 1 0 12 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 25 95 1 0 26 96 1 1 27 97 1 0 29 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 35106 1 0 39107 1 0 41108 1 0 41109 1 0 42110 1 6 44111 1 6 46112 1 0 50113 1 0 50114 1 0 52115 1 0 55116 1 0 56117 1 0 57118 1 6 61119 1 0 62120 1 0 M END