HMDB0060312 RDKit 3D (6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexa-6,9,12,15,18,21-enoyl-CoA 144146 0 0 0 0 0 0 0 0999 V2000 3.3296 -0.8938 -5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 0.3965 -4.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3655 0.4944 -5.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3878 0.5548 -4.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 0.5305 -2.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8008 1.7992 -2.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7954 1.9217 -1.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6366 0.9080 -0.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4738 -0.5054 -1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1835 -1.3935 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9924 -1.0773 1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -1.4805 1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6969 -0.7307 2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8244 0.6808 2.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9734 1.6452 1.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 1.4777 0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 0.1802 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 0.1117 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 -0.0080 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3509 -0.0908 -1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 1.0711 -2.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 1.1955 -2.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4319 0.0687 -2.6389 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 2.3745 -3.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9558 2.1587 -4.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8172 0.9869 -4.8305 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7996 3.4873 -5.6220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 5.1246 -4.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 5.5708 -4.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0621 4.8767 -3.6094 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 5.2378 -2.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3711 6.3812 -1.9844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 4.5257 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0006 4.0673 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8675 3.3940 0.7786 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5209 3.1939 1.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 3.6332 2.3932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4682 2.5124 2.9016 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8088 3.3982 3.9442 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 1.3124 3.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3989 0.2968 2.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 1.7439 4.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7994 0.6538 4.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2273 -0.4432 5.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3172 -1.1754 6.1998 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0223 -0.0407 6.9199 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5392 -2.1224 7.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4703 -1.9884 5.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9441 -3.5665 4.9122 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.1048 -4.3886 4.4265 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2193 -4.2411 6.2721 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 -3.3969 3.6321 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8687 -4.5065 2.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8496 -4.2118 1.6703 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6443 -4.0309 2.2978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6997 -4.6218 1.5025 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4316 -4.8236 2.1267 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -5.2627 3.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 -5.3036 3.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 -4.8792 2.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 -4.7264 2.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 -5.0202 2.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3765 -4.2728 0.8274 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4022 -3.9757 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 -4.1277 0.2993 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 -4.5835 1.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3715 -5.9498 1.1535 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7330 -6.6127 0.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 -5.3874 0.7211 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5448 -4.8531 -0.5425 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6201 -5.4062 -1.6971 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9852 -4.2458 -2.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0228 -5.9159 -0.9398 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9073 -6.6304 -2.6159 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 -0.6986 -6.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -1.0744 -4.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 -1.7470 -5.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6663 0.4214 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3563 1.2311 -5.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 0.5184 -6.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4018 0.6264 -4.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0722 0.6102 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5442 -0.3918 -2.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3103 2.7451 -2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0767 2.9775 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7807 1.1205 0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7081 1.1764 -1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 -0.8936 -2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0755 -2.4501 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6936 -1.8383 1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3597 -0.1264 1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4257 -2.5558 1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7609 -1.2267 2.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7387 0.9452 3.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9068 0.9884 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 2.7383 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4823 2.3804 0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -0.6952 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5293 0.3742 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 0.1619 1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 -0.0498 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 -0.9688 -1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 -0.4428 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 1.9941 -1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9976 1.0208 -3.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 1.4033 -1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1548 -0.1777 -2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 3.3425 -2.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 2.3190 -2.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5378 5.8739 -5.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3217 5.2876 -4.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 5.6382 -5.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2845 6.6658 -4.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 6.3959 -2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 5.1475 -0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3081 3.6308 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2743 3.3293 -0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 4.9276 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2452 4.5375 2.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3794 2.1881 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4192 4.2867 3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9711 -0.5805 3.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 -0.0293 1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5711 0.6932 1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3865 0.9593 5.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7381 1.7720 3.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7862 2.6744 4.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1054 1.3936 5.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 0.4007 3.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.0951 7.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8646 -5.1337 6.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5822 -5.4285 3.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8433 -4.6489 2.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 -3.2690 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6338 -4.0513 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 -5.5501 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8127 -5.8068 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3219 -4.4542 3.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 -3.6112 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 -6.5525 2.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3461 -5.9149 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5449 -6.1055 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5547 -5.1217 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 -6.9571 -3.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 3 31 32 1 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 2 3 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 61 62 1 0 61 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 56 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 2 0 71 73 1 0 71 74 1 0 69 54 1 0 66 57 1 0 66 60 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 19101 1 0 20102 1 0 20103 1 0 21104 1 0 21105 1 0 22106 1 0 23107 1 0 24108 1 0 24109 1 0 28110 1 0 28111 1 0 29112 1 0 29113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 37119 1 0 38120 1 6 39121 1 0 41122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 47130 1 0 51131 1 0 53132 1 0 53133 1 0 54134 1 6 56135 1 6 58136 1 0 62137 1 0 62138 1 0 64139 1 0 67140 1 1 68141 1 0 69142 1 6 73143 1 0 74144 1 0 M END