HMDB0300952 RDKit 3D (2E)-Undec-2-enoyl-CoA 114116 0 0 0 0 0 0 0 0999 V2000 14.4462 -3.2030 -0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7620 -1.8255 0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2685 -1.6139 1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7800 -1.7724 1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0717 -0.7678 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4310 0.6371 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1384 1.0349 2.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 1.0643 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9315 -0.1493 2.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 -0.4276 2.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0365 0.3791 1.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 -0.1601 0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4384 2.0315 0.8766 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0947 2.7141 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 2.9416 0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8336 3.4622 0.0138 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2172 2.7799 -1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6192 1.5925 -1.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1379 3.3062 -1.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 2.2323 -2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9715 1.1615 -2.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4039 0.0330 -2.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 -0.0225 -3.9321 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -1.0699 -1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -2.1605 -2.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 -0.6309 -1.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5926 0.6405 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -0.4633 -2.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3884 -1.6510 -0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 -1.1999 -0.4762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 -2.2586 0.4819 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7338 -2.5672 1.7167 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 -3.6910 -0.3456 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9903 -1.5127 1.0334 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5312 -0.3281 -0.0637 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0209 1.0205 0.4134 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8712 -0.5862 -1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2126 -0.3845 -0.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7147 -1.5002 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2367 -1.5292 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7382 -1.5512 -0.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4479 -0.4141 -0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8821 -0.7431 -1.0535 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4664 -1.9117 -0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8110 -1.8217 -0.9183 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0915 -0.5976 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2759 0.0196 -1.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5463 -0.6026 -1.6229 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1936 1.2958 -2.0963 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0057 1.9477 -2.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8325 1.3626 -1.8511 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8930 0.0717 -1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2356 0.5455 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4030 1.2386 0.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8364 -0.3650 1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9958 -0.7871 1.8923 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9732 -0.4341 3.5437 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.0673 -1.7729 4.2761 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5011 0.3158 3.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2966 0.4789 4.0381 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3775 -3.2133 -0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1309 -3.4968 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5892 -3.9303 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3742 -1.0732 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8733 -1.6905 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7353 -2.3331 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5314 -0.5995 1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5033 -1.5857 2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 -2.8148 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9867 -0.8960 0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 -0.9465 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8344 1.2803 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4931 0.8771 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6094 2.0368 2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6905 0.3503 3.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1926 1.9731 2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7374 1.4307 3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3656 -0.9789 3.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4684 -1.4875 2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3887 3.6794 -0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 2.0171 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6468 2.0309 1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2467 3.6981 1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4843 4.4328 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 4.2018 -2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 3.6273 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 1.8256 -3.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 2.6246 -3.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 1.2810 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 -1.3506 -1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2251 -2.9510 -2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 1.4546 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6052 0.8804 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 0.5193 0.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8895 -1.0707 -3.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 0.5913 -3.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 -0.9272 -2.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 -1.7952 0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4656 -2.6468 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -4.1527 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5431 0.2700 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3296 -1.5120 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3491 -2.4246 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5148 -2.4428 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2055 0.0182 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9570 -2.8054 -0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9103 -1.2901 -2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2089 -0.3796 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9674 2.9886 -2.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4590 1.3242 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2169 2.0880 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1203 0.1164 1.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9491 -0.3237 4.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4563 1.2226 3.3876 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 2 3 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 47 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 42 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 55 40 1 0 52 43 1 0 52 46 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 24 90 1 0 25 91 1 0 27 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 33100 1 0 37101 1 0 39102 1 0 39103 1 0 40104 1 0 42105 1 0 44106 1 0 48107 1 0 48108 1 0 50109 1 0 53110 1 0 54111 1 0 55112 1 0 59113 1 0 60114 1 0 M END