HMDB0291263 RDKit 3D CDP-DG(18:1(9Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 157158 0 0 0 0 0 0 0 0999 V2000 3.4783 -1.7570 -4.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -0.6580 -3.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7541 0.2968 -4.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4837 1.5855 -4.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 2.2877 -3.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 2.9376 -4.0420 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8963 3.8404 -5.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 3.6813 -2.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5225 3.9429 -3.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 4.6781 -1.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3731 4.9569 -1.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 4.5778 -3.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5481 4.9288 -2.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 4.6294 -3.9011 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8338 4.5742 -3.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3214 3.3490 -4.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4079 3.1259 -5.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1626 2.0612 -5.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0327 0.9400 -4.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7461 -0.3294 -5.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5130 -1.3758 -5.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7558 -1.4944 -4.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7085 -2.6361 -3.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6324 -2.4372 -2.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8895 -1.9645 -1.4059 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2871 -2.7218 -2.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2741 -2.5577 -1.8285 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2651 -1.4783 -2.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -0.1655 -2.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3359 0.4255 -0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2975 -0.2633 0.1015 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9399 1.7699 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6789 2.3109 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2735 2.6450 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 1.5985 0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 2.2346 1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1391 1.1409 0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 1.6501 1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 0.6063 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 0.0797 1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3135 0.4234 3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6988 0.9428 3.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9728 2.1944 2.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3267 2.7707 3.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4162 1.7794 2.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3579 1.4098 1.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4789 0.4147 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4275 0.0465 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5541 -3.8182 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 -3.5644 -0.5002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 -4.9602 -0.0265 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1634 -6.1659 -0.7966 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0766 -4.6852 -0.3464 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -5.1334 1.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 -5.7060 2.4367 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6253 -5.8496 1.5744 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0075 -7.2629 3.0224 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 -4.6976 3.7771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1771 -3.3590 3.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -2.5712 4.6420 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2318 -1.2030 4.4365 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3681 -0.7849 5.7792 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4221 0.6301 5.9352 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 1.4626 5.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5093 2.8337 5.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6916 3.3792 6.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 4.7930 6.4944 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7091 2.5368 6.5049 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5924 1.2126 6.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5843 0.4711 6.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7728 -1.4514 6.5188 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2648 -2.1735 7.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -2.5182 5.5193 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4755 -3.7271 6.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2641 -2.4812 -3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 -2.2309 -4.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5522 -1.3006 -4.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -0.2058 -2.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3503 -1.1280 -3.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3077 -0.0997 -5.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8267 2.1780 -5.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 1.6213 -2.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3489 3.1376 -3.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 2.2323 -4.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 4.7665 -4.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 4.0171 -2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 3.5962 -3.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 4.9829 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 5.5162 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 4.0290 -3.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 5.4793 -2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6232 5.4667 -4.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7645 4.5780 -2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 2.5633 -3.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 3.5734 -5.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6208 3.8762 -6.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9759 1.9384 -6.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0102 0.8587 -4.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2119 1.1271 -3.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8281 -0.3912 -5.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1736 -2.2586 -5.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5688 -1.8070 -5.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0979 -0.5879 -4.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6710 -2.6955 -2.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5495 -3.6111 -4.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7873 -2.2146 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 -1.6526 -2.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5701 -1.4909 -1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5682 2.4434 -1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0449 1.6176 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2939 3.2423 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0321 1.5975 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 3.5795 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 2.9894 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1343 1.2556 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 0.8119 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7196 3.1082 0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 2.5148 2.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 0.2480 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1742 0.8412 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7202 2.4953 0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 2.0392 2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 0.2717 -0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -0.7074 1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 1.1370 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1798 -0.5206 3.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6581 1.1629 4.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 0.1462 3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 2.0156 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2207 2.9520 3.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 3.0257 4.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 3.6608 2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4065 2.2298 2.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3428 0.8462 3.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3804 0.9182 1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 2.3225 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4604 0.8404 1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3124 -0.5033 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9313 0.8574 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 -0.8741 -0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4675 -0.1349 -0.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1757 -4.3951 -2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2988 -4.4782 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -5.3002 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5502 -7.1702 3.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 -3.2937 2.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -2.9700 2.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9138 -2.9119 5.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 -1.2419 6.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 1.0350 5.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 3.5046 5.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 5.3273 7.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4874 5.3550 5.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 -0.7694 6.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1133 -3.0404 7.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0325 -2.0822 4.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 -3.6586 6.9365 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 27 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 66 68 2 0 68 69 1 0 69 70 2 0 62 71 1 0 71 72 1 0 71 73 1 0 73 74 1 0 73 60 1 0 69 63 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 6 7 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 12 90 1 0 13 91 1 0 14 92 1 6 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 21101 1 0 22102 1 0 22103 1 0 23104 1 0 23105 1 0 27106 1 1 28107 1 0 28108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 53144 1 0 57145 1 0 59146 1 0 59147 1 0 60148 1 1 62149 1 1 64150 1 0 65151 1 0 67152 1 0 67153 1 0 71154 1 1 72155 1 0 73156 1 6 74157 1 0 M END