HMDB0301390 RDKit 3D (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosa-4,7,10,14,16,19-hexaenoyl-CoA 138140 0 0 0 0 0 0 0 0999 V2000 17.6092 -2.5731 0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0926 -1.1413 0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7166 -0.5561 1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4279 0.5109 2.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4317 1.5479 2.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5751 1.4559 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2645 1.3070 1.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4589 1.2182 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1231 1.0663 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3161 0.9707 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 2.0930 -2.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8395 1.0143 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0082 0.8818 -2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1468 1.7891 -2.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3306 1.5659 -3.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7544 0.2637 -4.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9734 -0.7638 -4.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5096 -0.8430 -4.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2231 -1.8491 -3.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6188 -1.5650 -2.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 -0.2563 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8019 0.1212 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2251 1.4740 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8312 2.4313 -0.4707 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 1.7742 1.0749 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1972 0.3748 1.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -0.7307 1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5165 -0.3625 0.2607 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3525 0.2626 0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2576 0.5209 1.9652 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 0.5990 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 1.5359 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 0.9782 1.5917 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 1.7037 2.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 2.8319 1.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9063 1.1543 3.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3809 -0.1117 3.8378 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3985 1.0890 3.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8356 0.5103 4.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0118 2.4509 3.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9392 0.2056 2.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6055 0.5790 1.1518 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2703 -0.5189 0.0234 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.3187 -1.3197 0.7424 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 -1.5690 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9289 0.2429 -1.3098 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9701 1.5010 -0.8864 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.1977 2.4685 -0.0261 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4433 2.2341 -2.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3427 0.9395 -0.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9811 0.0279 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2466 -0.5286 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0836 0.5237 0.0256 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2549 0.3344 -0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2885 -0.1338 0.1959 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.1791 -0.3976 1.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3651 -0.8065 1.9865 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.2384 -0.8126 1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5925 -1.1434 0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3077 -1.5813 2.0782 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.1738 -1.0262 -0.2764 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.5542 -0.6186 -1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2498 -0.3083 -1.2861 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.5848 -0.3925 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9458 -0.6168 -1.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0120 -1.3525 -2.2742 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8685 -1.4837 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0257 -1.8658 -2.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0441 -3.5185 -2.5048 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.4790 -3.7522 -3.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0490 -4.2693 -1.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5778 -4.1815 -2.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5257 -3.1625 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9840 -2.5059 1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9680 -2.8681 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2497 -0.6031 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8201 -1.3003 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5993 -1.1769 2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1233 0.6928 3.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9868 2.5443 2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7608 1.5858 3.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9883 1.5550 -0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8252 1.2461 2.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9306 1.2895 -1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6897 1.0198 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5173 0.0121 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8528 2.8289 -1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6690 0.1609 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6444 1.9523 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1226 -0.0385 -2.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9683 2.7047 -2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 2.3889 -4.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2821 1.6298 -3.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8164 0.1353 -4.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4304 -1.6922 -4.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0891 0.1450 -4.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0642 -1.2660 -5.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5372 -2.8705 -3.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4555 -2.4129 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3288 0.5515 -2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 -0.3101 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9076 0.2026 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 -0.5917 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 -0.0845 2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4841 0.6831 2.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -1.3239 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1773 -1.4551 1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5934 -0.5631 -0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3401 1.0493 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 -0.3797 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 1.6438 -0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2775 2.5276 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 0.0546 1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6198 1.8198 4.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5814 -0.7008 3.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9162 0.6999 5.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2747 1.0972 5.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 -0.5450 4.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9328 2.8749 2.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5408 3.1665 4.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1084 2.4304 3.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0633 0.2116 2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5662 -0.8378 2.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7231 -1.2951 -1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3747 2.5679 -2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2524 0.4855 -1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2657 -0.7915 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9965 -1.0095 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5438 1.3414 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2798 -0.2975 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1882 -1.0857 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9771 -2.3541 2.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0697 -0.5382 -2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4621 -0.0078 -2.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2821 -0.9421 -3.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3890 -2.3354 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9966 -5.2275 -1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8439 -4.3298 -1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 21 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 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 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 9 85 1 0 10 86 1 0 11 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 21100 1 0 21101 1 0 22102 1 0 22103 1 0 26104 1 0 26105 1 0 27106 1 0 27107 1 0 28108 1 0 31109 1 0 31110 1 0 32111 1 0 32112 1 0 33113 1 0 36114 1 0 37115 1 0 39116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 45124 1 0 49125 1 0 51126 1 0 51127 1 0 52128 1 0 54129 1 0 56130 1 0 60131 1 0 60132 1 0 62133 1 0 65134 1 0 66135 1 0 67136 1 0 71137 1 0 72138 1 0 M END