HMDB0003952 RDKit 3D cis,cis-3,6-Dodecadienoyl-CoA 115117 0 0 0 0 0 0 0 0999 V2000 14.7393 0.0151 4.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4855 -0.6416 3.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8373 -1.0772 2.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7070 -1.7524 1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4856 -0.8376 1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8955 0.3617 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3831 0.7499 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3105 0.0378 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1865 0.9615 -1.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9902 0.7553 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5903 -0.4301 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 -1.2600 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 -2.3543 -0.3904 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5761 -0.9812 -2.4176 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4259 0.6457 -3.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5612 1.5953 -2.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1988 1.0881 -2.1785 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2174 1.7944 -1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 2.8901 -0.8755 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 1.3119 -1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 2.2594 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 1.8409 -0.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 2.6677 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9275 3.7404 0.7909 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7234 2.2680 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9806 1.0667 -0.2476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6116 3.3380 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3046 3.5470 -1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 4.6360 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0745 2.9689 -0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7815 4.0469 -0.6984 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4331 3.7147 -0.6275 P 0 0 0 0 0 5 0 0 0 0 0 0 -9.2436 4.8716 -1.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7303 2.3715 -1.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8226 3.3808 0.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3881 1.8057 1.1758 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.8640 1.6974 0.8311 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2377 1.4083 2.8227 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4656 0.7225 0.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9875 -0.5511 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0817 -1.4457 -0.5433 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7961 -1.4966 -0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2225 -2.5186 -0.7708 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9194 -2.8521 -0.2505 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0214 -3.6616 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9244 -3.7232 -0.0386 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1194 -2.9513 1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 -2.6656 2.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -3.2125 2.3094 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8378 -1.8378 3.0744 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0652 -1.2887 2.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8167 -1.5760 1.8923 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3923 -2.4043 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2143 -3.6345 -0.5143 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1058 -4.5463 -1.5583 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5268 -2.8806 -0.5159 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2766 -3.1127 -1.6777 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8294 -3.6503 -1.3143 P 0 0 0 0 0 5 0 0 0 0 0 0 -11.3107 -4.7419 -2.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9067 -2.3357 -1.4895 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9317 -4.1927 0.2935 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6008 1.1237 4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6206 -0.2151 3.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9026 -0.3642 5.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6591 0.0883 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1967 -1.4702 4.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7059 -1.7854 2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2075 -0.1822 1.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4178 -2.6687 1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0638 -1.9586 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 -0.5334 2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6328 -1.3858 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6892 1.0035 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7568 1.6595 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7435 -0.1063 -2.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0967 -0.9630 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4001 1.8895 -2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 1.5472 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4558 -1.0712 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1335 -0.1410 0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8825 0.5570 -4.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3965 1.0831 -3.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5141 2.5486 -2.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 1.7079 -1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 0.2016 -2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 0.3145 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 1.1598 -2.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 2.3195 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 3.2917 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7364 0.9592 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9919 2.1875 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5968 1.1035 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 2.6249 -2.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2296 3.7411 -2.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 4.4269 -1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2764 4.3309 1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3747 5.2082 0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 5.2313 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3402 2.0991 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3525 2.8088 0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 2.3246 -2.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0925 1.4122 3.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0311 -0.6150 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9332 -0.9399 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9957 -1.1283 -1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2039 -2.2564 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0688 -4.2131 -1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 -4.2465 2.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1967 -2.6042 2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4805 -0.6206 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0182 -4.1079 0.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2689 -4.0729 -2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1431 -3.1138 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2949 -2.0812 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6834 -4.8422 0.3199 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 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 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 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 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 43 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 58 61 1 0 56 41 1 0 53 44 1 0 53 47 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 25 91 1 0 26 92 1 0 28 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 34101 1 0 38102 1 0 40103 1 0 40104 1 0 41105 1 6 43106 1 6 45107 1 0 49108 1 0 49109 1 0 51110 1 0 54111 1 1 55112 1 0 56113 1 1 60114 1 0 61115 1 0 M END