HMDB0060205 RDKit 3D 3(S)-Hydroxy-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA 140142 0 0 0 0 0 0 0 0999 V2000 -14.7633 2.2068 -1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0310 2.1302 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4292 1.7313 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9065 0.6695 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0079 -0.3555 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2511 -1.6319 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3552 -2.3413 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9269 -1.9920 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0495 -3.0647 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1809 -2.9921 1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7387 -1.9515 1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3770 -0.6444 1.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7823 0.4610 1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3406 0.5796 1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2695 1.1581 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7199 0.6635 -1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9942 -0.5366 -1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5173 -1.5254 -0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3848 -1.0673 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1568 -0.7223 -0.3981 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7707 -1.8730 -1.1202 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9478 -0.3640 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 -1.4821 1.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0526 -2.5876 1.0508 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3534 -1.4059 2.5972 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 0.0578 2.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 0.2272 1.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 0.3173 0.4561 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 -0.3000 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8657 0.0503 -1.7979 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 -1.3682 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 -0.9205 -1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 0.2615 -1.0724 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 1.0744 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7222 2.3917 -0.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 0.8211 -0.5926 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9655 -0.4741 -0.8989 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 1.2774 0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 2.7612 0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 0.5240 1.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 1.1036 0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0093 1.5556 2.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 1.4421 2.3148 P 0 0 0 0 0 5 0 0 0 0 0 0 8.1203 2.6187 3.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4689 1.6143 0.8338 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1056 0.0327 3.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2683 -0.8370 2.2360 P 0 0 0 0 0 5 0 0 0 0 0 0 8.6160 -1.8816 1.3514 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2589 -1.6468 3.3386 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2147 0.1656 1.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7793 -0.5017 0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6259 0.4022 -0.6475 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1267 -0.3687 -1.6966 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2309 0.3056 -2.2104 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1838 -0.6555 -2.7309 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0560 -2.0039 -2.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1325 -2.5762 -3.2955 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9798 -1.6045 -3.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2113 -1.6354 -4.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8631 -2.8307 -4.6624 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8049 -0.4375 -4.5201 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1927 0.7260 -4.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9902 0.7475 -3.5595 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3735 -0.4189 -3.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8278 1.0913 -1.0597 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9748 0.4195 -0.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8049 0.9896 0.0565 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2541 0.1702 1.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4898 0.9332 2.5268 P 0 0 0 0 0 5 0 0 0 0 0 0 12.3487 0.6357 3.4689 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6096 2.6031 2.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8908 0.2770 3.2359 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7236 2.4164 -2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0078 3.0010 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3885 1.2083 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2546 1.5028 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9324 3.1625 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1759 2.4162 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9963 0.4989 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0139 0.0426 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3191 -0.4364 2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2952 -2.0275 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6152 -3.3103 -0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7409 -1.9559 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6316 -1.0137 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1874 -4.0653 -0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6300 -3.9929 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6106 -1.8879 2.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9463 -2.3761 3.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4589 -0.5823 2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3202 1.4151 1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9390 1.3935 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7898 -0.2979 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7622 2.1704 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8560 1.3806 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5166 -1.0845 -2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0443 -0.1956 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0181 -2.4190 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2830 -2.0629 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6072 -0.1791 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1419 -1.8818 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3357 0.1127 -1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0442 -1.6529 -1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1598 -0.0762 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2088 0.4857 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 0.9934 2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8798 -0.0001 3.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -0.6155 2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 1.1463 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7008 0.9834 -2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1286 -1.5471 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6693 -2.3220 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6317 -1.7370 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 -0.8899 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9194 2.4364 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1172 1.4928 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2954 -1.0217 -0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8765 3.2107 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9366 2.9738 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 3.1848 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 -0.3780 2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 1.1064 2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 0.1389 1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 1.7306 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 0.0473 0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2031 0.9235 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0516 -1.4002 4.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0059 -1.0282 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4131 -1.3269 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9562 1.2091 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9021 0.9709 -3.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 -2.5433 -2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3873 -3.3815 -3.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8331 -3.1799 -5.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6782 1.6691 -4.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0180 2.1438 -1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7972 -0.5675 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6261 2.0336 0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5419 2.8062 2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9718 -0.6789 3.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 3 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 2 3 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 59 61 1 0 61 62 2 0 62 63 1 0 63 64 2 0 54 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 68 69 1 0 69 70 2 0 69 71 1 0 69 72 1 0 67 52 1 0 64 55 1 0 64 58 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 4 79 1 0 5 80 1 0 5 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 19100 1 0 19101 1 0 20102 1 6 21103 1 0 22104 1 0 22105 1 0 26106 1 0 26107 1 0 27108 1 0 27109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 35115 1 0 36116 1 6 37117 1 0 39118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 6 54131 1 6 56132 1 0 60133 1 0 60134 1 0 62135 1 0 65136 1 6 66137 1 0 67138 1 1 71139 1 0 72140 1 0 M END