HMDB0301034 RDKit 3D (2E,6Z)-Dodeca-2,6-dienoyl-CoA 115117 0 0 0 0 0 0 0 0999 V2000 14.6503 -2.2034 2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2560 -1.0226 1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3254 -1.4267 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9190 -0.3426 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1022 0.9033 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6977 0.6543 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 1.3102 -2.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8868 1.2127 -2.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8943 0.3173 -2.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4992 0.8256 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2837 1.1249 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0614 1.0522 -1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9485 0.6613 -2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5326 1.5613 -0.4441 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1626 1.3381 -1.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8266 1.7090 -1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 0.9312 0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 1.0739 0.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 1.9212 0.4456 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 0.2440 2.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6194 0.4206 2.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 0.0847 1.6727 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5917 -1.1790 1.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 -2.0289 1.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5527 -1.6961 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 -3.0181 -0.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9954 -0.9716 -1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -0.5635 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6203 -2.1647 -1.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0819 0.0135 -0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9552 1.1183 -0.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3412 2.1069 -0.3297 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8969 3.4302 -0.9633 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 1.3020 -1.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0191 2.4652 1.1486 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2709 1.1651 2.1565 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0708 1.6648 3.5928 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0809 -0.0327 1.9358 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7733 0.4556 2.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7567 1.2958 1.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0974 0.6202 1.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0098 1.5116 0.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3028 1.2047 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7392 0.9488 -0.4856 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4406 0.5093 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7578 0.4098 -1.2222 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9074 0.7907 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9963 0.8933 0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3008 0.5565 0.4844 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.7705 1.3194 2.1639 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.5625 1.6498 2.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5088 1.5429 1.7801 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.6642 1.1209 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4647 0.0529 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1830 -0.8550 -1.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1010 -0.5927 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1095 -1.4801 0.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6471 -3.0686 0.9939 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.5774 -3.9211 0.1248 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0855 -3.3815 0.4729 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8576 -3.6481 2.5816 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6665 -2.4404 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3137 -3.0930 2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 -1.9137 3.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2667 -0.8346 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5605 -0.1791 1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3175 -1.7044 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9418 -2.3478 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0128 -0.6683 -1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9522 -0.0734 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5227 1.7261 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0275 1.2838 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 -0.0973 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9030 2.0421 -2.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9606 0.8999 -3.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4422 2.2427 -2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0206 0.1992 -2.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3408 -0.7151 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3041 0.9715 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1886 1.4964 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 0.2829 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3959 1.9500 -2.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 1.4755 -1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 2.7748 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 0.2187 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 -0.7956 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 0.5481 2.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -0.3213 3.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4228 1.3914 3.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0889 0.8512 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -1.9489 0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -3.2912 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 -1.3624 -2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3367 0.3292 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2276 -0.3668 -2.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -2.8454 -2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 -2.6387 -1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1253 -1.6804 -2.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1984 0.3875 -2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0997 -0.4677 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6036 1.8639 -2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2151 -0.7905 2.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8732 2.1148 2.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4914 1.6787 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3470 0.2604 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0738 2.0610 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0054 0.2678 -2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1040 0.6737 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4640 0.1927 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4740 1.9840 3.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5582 0.3563 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5055 -1.5084 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1251 -1.0807 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6136 -3.9510 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6175 -3.1752 3.0350 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 10 11 2 3 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 9 78 1 0 10 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 0 43106 1 0 45107 1 0 49108 1 0 49109 1 0 51110 1 0 54111 1 0 55112 1 0 56113 1 0 60114 1 0 61115 1 0 M END