HMDB0301231 RDKit 3D (3Z,5Z)-Pentadeca-3,5-dienoyl-CoA 124126 0 0 0 0 0 0 0 0999 V2000 -16.3883 -2.0015 -1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9060 -1.1743 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4609 -0.7613 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3553 0.0549 -1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9535 0.5039 -1.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4359 1.3627 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0219 1.8031 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4351 2.6534 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3308 1.9922 1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4888 0.7771 1.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3890 0.6661 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5625 -0.5301 2.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4896 -0.5741 2.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6245 -1.7583 2.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 -1.5059 2.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 -2.4218 2.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 -0.0861 1.7166 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 1.0128 0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2666 0.5693 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3947 0.3158 -1.4859 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 -0.6712 -1.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -1.4354 -0.6019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5485 -0.7939 -2.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 -1.5105 -2.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -0.9954 -1.9485 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -0.7102 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 -0.8936 0.3031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4403 -0.1440 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 0.2698 1.1394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5815 -1.0965 -0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 -1.5260 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3216 -2.3771 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -0.4734 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 -0.2133 1.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0348 0.4593 2.2977 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9595 0.4123 3.8093 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3768 -0.4194 1.8323 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1373 2.0600 1.8077 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5374 2.2772 0.8985 P 0 0 0 0 0 5 0 0 0 0 0 0 6.2375 2.2325 -0.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1813 3.7843 1.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6884 1.1069 1.2416 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3199 0.7425 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3571 -0.3418 0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2888 0.1189 1.2642 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4608 -0.6055 0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6180 -0.1452 1.6201 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7670 -0.1980 2.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9582 0.3109 3.3135 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5879 0.6974 2.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8354 1.2845 1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6854 1.5748 3.0875 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1279 1.5347 0.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3134 1.2573 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1231 0.6932 -0.0823 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7544 0.4136 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4958 -0.3067 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 1.0904 -0.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0532 -0.6998 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6076 0.0228 -2.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 -1.0629 -3.2179 P 0 0 0 0 0 5 0 0 0 0 0 0 9.6326 -2.4704 -2.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8897 -0.5970 -4.6744 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 -1.1134 -3.4624 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5629 -1.3010 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3157 -2.5053 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6031 -2.7452 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9992 -1.7361 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5636 -0.2814 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1470 -0.1955 0.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8677 -1.6917 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6759 -0.6016 -2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0177 0.9487 -1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9389 1.0709 -2.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2918 -0.3789 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0979 2.2067 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3630 0.7145 0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0050 2.3931 -2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4228 0.8814 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4106 2.9533 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0608 3.5650 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9187 2.7392 2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3567 1.6589 1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7574 -0.0537 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1261 1.5044 2.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7818 -1.3831 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2847 0.2884 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0728 -2.5277 2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6774 -2.2102 3.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 1.9891 0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4883 1.3823 1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8390 -0.3920 -0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0376 1.3385 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5121 0.9386 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4105 0.2486 -3.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1835 -1.2788 -3.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4968 -2.5838 -2.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 -1.7417 -3.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6533 -0.7269 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 0.7634 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 1.1642 1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -2.3603 -2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8949 -1.9880 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9288 -0.6790 -2.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2633 -2.6542 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9454 -3.1707 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -2.2465 1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6757 -1.1234 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0294 0.5195 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6993 -1.0806 2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 3.6836 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 0.3890 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8737 1.6232 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8396 -1.2084 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2171 -1.6627 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0634 -0.5852 3.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4293 2.2738 3.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5791 1.0556 3.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5961 1.4794 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2379 -0.8630 -1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2596 1.5108 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0155 -1.7972 -1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6986 -0.0664 -4.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3505 -1.4732 -4.3754 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 2 3 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 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 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 51 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 46 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 61 64 1 0 59 44 1 0 56 47 1 0 56 50 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 3 71 1 0 4 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 23 95 1 0 23 96 1 0 24 97 1 0 24 98 1 0 25 99 1 0 28100 1 0 29101 1 0 31102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 37110 1 0 41111 1 0 43112 1 0 43113 1 0 44114 1 0 46115 1 0 48116 1 0 52117 1 0 52118 1 0 54119 1 0 57120 1 0 58121 1 0 59122 1 0 63123 1 0 64124 1 0 M END