HMDB0060229 RDKit 3D 3-Oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA 146148 0 0 0 0 0 0 0 0999 V2000 0.4867 8.1130 5.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 7.1046 4.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 7.4553 2.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 6.4216 1.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 6.7040 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3068 8.0035 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 8.2253 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3662 7.1948 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 7.2271 -2.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 6.2439 -2.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 4.9044 -1.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 4.5614 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7032 3.5655 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 2.6003 -1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 2.6467 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1027 1.6911 -3.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 0.4409 -2.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0848 0.3551 -2.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6102 0.4361 -4.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1006 0.3656 -4.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 0.4670 -5.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 0.4320 -5.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4973 0.2711 -4.6982 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 0.5915 -6.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0172 0.6206 -6.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7041 1.0038 -7.7198 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7687 0.0987 -5.2912 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5287 0.4370 -5.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1636 -0.1297 -3.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0037 -1.5497 -3.9573 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1203 -2.2602 -3.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2054 -3.6602 -3.5467 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9557 -1.7925 -2.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1013 -2.5250 -1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1159 -3.8646 -1.3377 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -4.9971 -1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6791 -6.0495 -1.4102 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -5.5003 -1.7059 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2398 -6.0536 -3.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -6.5730 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 -7.0351 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8728 -7.7818 -0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9306 -6.0373 0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9785 -5.0320 0.7658 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -4.3687 2.3172 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7115 -5.1608 3.2958 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3437 -2.7506 2.3566 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -4.4471 2.8088 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 -3.7948 1.6870 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7972 -4.8403 1.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -3.1833 0.3447 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -2.5426 2.3555 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2959 -1.3127 1.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 -0.2213 2.4796 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4524 -0.3969 2.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2155 -0.3370 3.3047 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3598 -1.2102 3.2045 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3166 -1.4249 4.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2156 -2.3061 3.6652 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 -2.6602 2.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3733 -3.5376 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 -4.2692 1.7368 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7654 -3.7246 0.3069 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6328 -3.0534 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 -2.1992 0.9438 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 -1.9760 2.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3129 -0.6554 4.4595 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1715 -2.0027 4.7154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9837 -0.1296 3.9606 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9133 -0.9402 4.3284 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2285 0.0042 5.1637 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6379 -0.7388 6.3973 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6068 0.2542 4.2166 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3946 1.5205 5.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6096 8.1693 5.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 7.7139 6.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 9.1123 4.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3835 6.1334 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 6.9859 3.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9535 7.5168 2.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 8.4832 2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 5.4556 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5953 6.3990 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1725 5.9036 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 6.6153 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0658 8.8735 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 9.2813 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 6.2288 -2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 7.5754 -3.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 8.1718 -2.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 6.3779 -2.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0738 4.1556 -2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 5.1025 -1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 5.2490 0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 3.4936 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 1.5407 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 2.7062 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 3.5024 -3.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 1.8554 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 -0.4626 -3.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8512 0.3266 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7712 -0.6011 -2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6697 1.1612 -2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 -0.4376 -4.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 1.3437 -4.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2204 -0.5830 -3.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3565 1.2185 -3.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.4011 -6.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 -0.3647 -6.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -0.2925 -7.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 1.4661 -7.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7801 1.5188 -5.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0921 -0.0232 -6.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2360 0.1176 -3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6796 0.2967 -3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6611 -4.0071 -4.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0308 -2.0623 -3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -0.7183 -2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1133 -2.1373 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3311 -2.0676 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6158 -5.9015 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6271 -4.6848 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7097 -5.4782 -3.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5341 -7.7805 -1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 -6.1259 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1119 -7.4442 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 -8.7286 -0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7064 -7.7165 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3036 -7.8773 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -6.8915 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9462 -5.6632 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7428 -2.5747 3.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 -2.9169 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 -1.2480 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -1.1550 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 0.7714 2.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5378 0.7274 3.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3883 -0.9667 5.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6151 -5.2728 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 -3.8096 2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1337 -3.1829 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -0.1410 5.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -2.3961 5.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 0.9189 4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3857 0.6197 3.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2949 1.6514 6.5440 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 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 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 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 3 81 1 0 4 82 1 0 4 83 1 0 5 84 1 0 5 85 1 0 6 86 1 0 7 87 1 0 8 88 1 0 8 89 1 0 9 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 13 95 1 0 14 96 1 0 14 97 1 0 15 98 1 0 16 99 1 0 17100 1 0 17101 1 0 18102 1 0 18103 1 0 19104 1 0 19105 1 0 20106 1 0 20107 1 0 21108 1 0 21109 1 0 24110 1 0 24111 1 0 28112 1 0 28113 1 0 29114 1 0 29115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 37121 1 0 38122 1 6 39123 1 0 41124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 47132 1 0 51133 1 0 53134 1 0 53135 1 0 54136 1 6 56137 1 1 58138 1 0 62139 1 0 62140 1 0 64141 1 0 67142 1 1 68143 1 0 69144 1 6 73145 1 0 74146 1 0 M END