HMDB0301327 RDKit 3D (8E,12Z)-10-Hydroxyoctadeca-8,12-dienoyl-CoA 134136 0 0 0 0 0 0 0 0999 V2000 17.5213 2.4292 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1657 1.8868 1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0407 0.9038 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3336 -0.3171 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1843 -1.2518 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0336 -0.6631 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1381 0.4705 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0751 1.1354 -1.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7400 0.5478 -1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8433 1.3968 -2.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5278 -0.7756 -2.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7712 -1.6286 -1.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3215 -2.9662 -2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8699 -3.2354 -2.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9490 -2.6983 -1.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8277 -1.1980 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -0.7538 -2.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6744 -1.0985 -2.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0349 -0.2210 -1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 -0.5118 -1.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9778 1.1412 -1.0191 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 2.2387 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2344 3.1172 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 2.5387 -0.4019 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3204 1.7691 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9204 1.6232 1.7274 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 1.1743 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 0.5697 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 0.0685 1.5741 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 -0.9474 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3018 -1.5259 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5787 -1.3793 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 -2.5947 -0.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3449 -0.3851 -0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 -0.3299 -1.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 0.9860 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7687 -0.8618 -0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2567 -0.8817 0.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8728 -1.4245 0.9072 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.4731 -1.3194 -0.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8821 -3.0317 1.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7037 -0.4181 1.9756 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7665 0.5474 1.0938 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.2152 0.6989 -0.3045 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8801 2.0653 1.8532 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2885 -0.1692 0.9642 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1482 0.5126 1.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5588 -0.0435 1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3325 0.6780 2.6226 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.1474 1.5527 1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5141 1.0721 1.9826 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.5630 1.4979 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6596 0.7928 1.5536 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.3500 -0.1217 2.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0723 -1.1049 3.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4503 -1.2874 2.8938 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.4365 -1.8584 4.0651 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.1185 -1.6688 4.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4284 -0.7189 3.6612 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.9992 0.0613 2.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7186 1.5981 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7587 2.5623 0.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1558 0.1691 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1936 0.1424 -0.6102 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8009 -0.7781 -1.8861 P 0 0 0 0 0 5 0 0 0 0 0 0 -13.6374 0.1358 -2.7899 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8248 -2.0178 -1.3739 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5553 -1.4907 -2.7947 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2010 3.3210 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0311 1.6560 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6143 2.8146 -0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0680 1.3833 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9351 2.7660 1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1042 1.3929 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9193 0.5285 2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7202 -0.0339 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1626 -0.8756 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5178 -2.1204 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8591 -1.6639 1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0759 -1.2313 -0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1218 0.9723 -1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3822 1.3413 -2.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9728 2.2005 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2355 0.5234 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0193 1.2203 -3.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9771 -0.9974 -3.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4958 -1.2411 -0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7958 -3.6766 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8728 -3.2893 -3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7627 -4.3647 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5572 -3.0047 -3.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9689 -3.1563 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4218 -2.9218 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6499 -0.5887 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0428 -0.9625 -0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6834 -1.1288 -3.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2278 0.3521 -2.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2023 -0.8301 -3.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -2.1318 -2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 1.6804 1.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 2.9196 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1769 3.9354 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 3.6872 -1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 2.6429 -1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2127 1.9604 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 0.3730 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 -0.2292 2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 1.3642 2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 0.5248 2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 -1.4819 1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0937 -3.2958 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 0.3687 -1.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 -1.3375 -2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 -0.0047 -2.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 1.5075 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1631 1.5765 -0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 0.8861 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8789 -1.8603 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3906 -0.1055 -0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 -3.4043 1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5182 2.7384 1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7951 0.4105 2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0891 1.5855 1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5699 -1.1212 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1385 2.5502 2.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5214 2.2956 0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.8709 -1.1659 1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0909 -1.5514 3.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5640 -2.2545 5.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5383 1.7371 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9192 3.0755 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9928 -0.5000 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5606 -2.1779 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6564 -1.2288 -3.7549 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 2 3 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 3 12 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 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 39 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 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 55 56 1 0 55 57 1 0 57 58 2 0 58 59 1 0 59 60 2 0 50 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 64 65 1 0 65 66 2 0 65 67 1 0 65 68 1 0 63 48 1 0 60 51 1 0 60 54 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 22100 1 0 22101 1 0 23102 1 0 23103 1 0 24104 1 0 27105 1 0 27106 1 0 28107 1 0 28108 1 0 29109 1 0 32110 1 0 33111 1 0 35112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 41120 1 0 45121 1 0 47122 1 0 47123 1 0 48124 1 0 50125 1 0 52126 1 0 56127 1 0 56128 1 0 58129 1 0 61130 1 0 62131 1 0 63132 1 0 67133 1 0 68134 1 0 M END