HMDB0301267 RDKit 3D (2E,4Z)-Hexadecadienoyl-CoA 127129 0 0 0 0 0 0 0 0999 V2000 18.0671 -0.6401 1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6557 0.2379 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3295 -0.6019 -1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9460 0.2616 -2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7353 1.1190 -1.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5121 0.2575 -1.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3545 1.1948 -1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0711 0.4507 -1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2063 -0.4713 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5954 0.1818 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6693 1.2040 1.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3335 0.7235 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1965 1.1533 1.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0806 2.1994 0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9761 2.6848 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 2.2859 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3952 1.3728 1.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 3.1508 -0.0452 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7228 2.7165 0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 1.3071 0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0113 1.1566 1.2617 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2342 -0.0273 1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 -1.0137 0.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0321 -0.0379 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.3171 2.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -1.6045 0.7659 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -2.8060 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -3.5980 1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5659 -3.2013 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -2.2026 -1.6395 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 -3.6408 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 -4.0608 -1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0586 -4.7885 0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7809 -2.4530 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7929 -1.4926 -0.9174 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 -0.1301 -0.4817 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.7607 0.0225 1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9317 1.2542 -1.0892 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2492 -0.2037 -1.1251 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2763 -1.1953 -0.2323 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1939 -2.5990 -0.8528 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7859 -1.2593 1.3989 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8769 -0.7595 -0.2701 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1753 0.5224 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6880 0.7747 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9224 2.0609 0.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5725 2.7328 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0058 2.6493 -0.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.9501 3.1198 -1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1780 2.8679 -0.7618 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.0619 2.2168 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9942 1.7315 1.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3970 1.8685 1.0795 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.5232 1.1159 2.4275 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.1893 0.9998 2.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2891 1.4721 1.7365 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.6872 2.0909 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2315 1.9838 -1.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1633 2.1255 -2.8694 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1917 0.5601 -1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3643 -0.2686 -2.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3071 -1.5527 -2.6705 P 0 0 0 0 0 5 0 0 0 0 0 0 -12.4376 -1.4890 -4.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5454 -3.0102 -2.2098 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8442 -1.5513 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5708 -0.3127 2.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1571 -0.5942 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7225 -1.6775 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5047 0.9043 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7502 0.7927 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5467 -1.3585 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2565 -1.1803 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8148 0.8596 -2.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6359 -0.4319 -3.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9077 1.7479 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5099 1.7786 -2.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7915 -0.3129 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3348 -0.4340 -2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1797 1.7960 -2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6407 1.8815 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2624 1.1895 -0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8390 -0.1679 -1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2426 -1.0197 0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9803 -1.2151 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6634 -0.6392 2.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6322 0.5815 1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6428 2.1448 1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1512 1.4964 2.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2557 -0.1016 3.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 0.6439 2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0394 2.6207 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0952 3.4974 -0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8283 2.9061 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 3.3998 0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0008 0.5531 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0237 1.2395 -0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.9946 1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6359 0.8068 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 0.1206 3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.1431 2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 -1.2821 2.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0962 -0.9274 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 -4.1088 -1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 -2.1556 -2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0131 -3.1371 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4523 -4.7666 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8554 -4.5472 -2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1509 -5.4182 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2761 -4.4005 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9181 -5.4250 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 -2.0719 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7783 -2.8370 0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9983 1.0236 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2335 -2.0447 1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7882 0.7243 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6202 1.2114 -0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1257 0.0296 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2698 3.8012 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7683 3.6364 -2.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9735 2.6319 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9049 1.1673 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8539 0.5056 3.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2032 2.2984 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5884 1.2547 -3.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2370 0.1951 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3648 -2.9885 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5595 -1.5876 -2.6108 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 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 2 3 15 16 1 0 16 17 2 0 16 18 1 0 18 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 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 34 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 2 0 40 42 1 0 40 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 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 52 54 1 0 54 55 2 0 55 56 1 0 56 57 2 0 47 58 1 0 58 59 1 0 58 60 1 0 60 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 62 65 1 0 60 45 1 0 57 48 1 0 57 51 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 7 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 9 84 1 0 10 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 15 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 24 98 1 0 24 99 1 0 25100 1 0 25101 1 0 26102 1 0 29103 1 0 30104 1 0 32105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 38113 1 0 42114 1 0 44115 1 0 44116 1 0 45117 1 0 47118 1 0 49119 1 0 53120 1 0 53121 1 0 55122 1 0 58123 1 0 59124 1 0 60125 1 0 64126 1 0 65127 1 0 M END