HMDB0289592 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/P-18:0) 138137 0 0 0 0 0 0 0 0999 V2000 -2.8869 3.3884 5.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 4.5213 5.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 4.4266 6.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 4.2395 6.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9374 4.1132 5.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3077 3.0169 4.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 3.8193 5.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5385 2.5408 6.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 1.4738 5.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2363 0.2432 6.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8027 -0.8533 6.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4137 -1.0091 4.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0332 -1.8728 3.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 -2.6719 3.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9921 -2.8865 4.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0434 -4.2806 4.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 -5.1385 4.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -5.0296 4.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 -3.9412 3.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -3.5912 2.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4882 -4.7518 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6244 -4.9319 0.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -5.5902 0.8966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 -6.6742 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2659 -6.2503 -1.4132 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4467 -5.3729 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 -4.2321 -1.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 -3.2397 -1.4040 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2806 -3.6126 -2.7818 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 -3.5023 -0.3464 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2739 -1.6394 -1.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3262 -0.7379 -1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 0.6767 -1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 1.0412 -0.1114 N 0 0 0 0 0 4 0 0 0 0 0 0 0.7760 0.7133 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 0.4589 1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 2.5013 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9472 -5.6239 -1.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -5.0804 -2.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8177 -4.7518 -2.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4279 -4.1596 -3.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0009 -2.7813 -3.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6032 -2.1652 -4.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 -1.9913 -5.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4405 -1.0978 -5.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4636 -0.9418 -6.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2726 -0.1055 -6.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6781 1.3269 -5.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 2.1027 -5.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 3.5058 -5.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2102 3.9232 -3.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 3.6165 -3.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9549 4.2948 -2.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3906 4.0539 -1.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7390 2.6037 -1.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2316 2.5599 -1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 3.6556 6.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4832 3.2490 5.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 2.4844 6.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4531 4.5413 4.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 5.4639 5.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 4.5186 7.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0068 4.1874 7.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 5.0328 4.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9983 2.4462 4.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9159 3.7180 4.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9134 4.6292 6.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 2.4834 7.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5108 1.6324 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 0.2165 7.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8427 -1.6870 6.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 0.0784 4.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5556 -1.2379 4.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 -1.8565 2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 -3.2884 2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 -2.2988 5.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 -2.4760 4.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0006 -4.6159 5.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 -6.2186 5.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -5.9344 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9705 -5.4724 5.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 -3.0447 4.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 -4.2542 3.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0506 -2.7954 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 -3.1607 2.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4698 -7.2454 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 -7.3228 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 -7.1292 -2.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 -5.1114 -2.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -5.9566 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 -0.9230 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9151 -0.8498 -2.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 1.3212 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 0.9559 -2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2123 1.3687 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 0.9442 0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -0.3613 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6341 -0.6258 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 0.7923 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 0.9120 1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 2.9506 -0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9931 2.6746 1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2831 2.8421 -0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 -4.9025 -3.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4282 -4.9281 -1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3025 -4.7869 -4.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 -4.0440 -4.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8255 -2.8778 -2.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -2.1057 -3.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0515 -1.1774 -4.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4044 -2.8190 -5.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 -2.9353 -6.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1115 -1.4246 -6.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -1.4768 -4.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9213 -0.1056 -5.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1854 -1.9415 -7.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -0.4374 -7.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3636 -0.0371 -7.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2901 -0.5892 -5.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 1.3086 -5.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 1.7893 -6.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 2.0041 -6.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0933 1.5252 -4.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 4.1485 -6.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5241 3.8975 -5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 3.5873 -3.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 5.0544 -3.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 2.5288 -3.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 4.0070 -4.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 5.3634 -2.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3069 3.8347 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 4.5510 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0426 4.4639 -2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6121 2.0269 -2.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1931 2.1069 -1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7452 3.2869 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6233 1.5640 -1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3552 2.8523 -0.3850 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 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 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 0 24 87 1 0 25 88 1 6 26 89 1 0 26 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 35 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 37103 1 0 39104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M CHG 2 30 -1 34 1 M END