HMDB0285989 RDKit 3D PC(16:0/PGD1) 139139 0 0 0 0 0 0 0 0999 V2000 4.7159 3.8197 6.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 2.5676 6.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3491 2.4041 4.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 1.3214 3.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4961 1.0662 3.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 0.7176 4.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 0.4978 3.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8199 0.1420 5.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 -0.1052 4.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7594 1.1101 3.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1523 0.8421 3.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 2.0554 2.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9131 2.5781 1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6038 3.7810 0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 4.4023 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 3.5395 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0926 2.3965 -1.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 4.0225 -2.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5163 3.2757 -3.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7243 2.0588 -3.1181 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5124 2.5363 -2.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8704 3.3253 -1.2847 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3964 3.9101 -0.3767 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9370 5.1589 -1.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 2.8198 -0.2700 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.1813 4.3359 1.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 4.8266 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 5.2132 3.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 6.2319 3.4307 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.5397 5.8487 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4362 6.3860 2.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 7.5128 3.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3557 1.2514 -4.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7952 -0.0497 -4.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5445 -0.4980 -3.3699 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4686 -0.9836 -5.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2069 -2.2858 -5.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -3.2252 -6.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -4.5330 -6.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4377 -5.4504 -5.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -6.1394 -4.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1248 -5.5727 -3.9531 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7511 -6.7917 -3.4506 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0859 -7.8357 -3.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -7.0904 -4.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 -6.0081 -5.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6906 -6.0329 -6.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9202 -4.8657 -4.7486 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0759 -4.4788 -3.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4278 -3.2139 -3.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 -2.8560 -2.8031 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4525 -1.4869 -2.5072 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 -3.5727 -1.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 -3.1419 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -3.8112 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -3.3136 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -3.6962 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2037 4.6904 6.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6265 3.8719 7.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7559 3.7821 6.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 1.7500 6.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8993 2.8507 6.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4937 2.3604 4.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 3.4090 4.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4468 1.4040 2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3152 0.3100 4.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5063 0.1274 2.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 1.8126 2.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -0.2987 5.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4757 1.3591 5.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 1.4195 3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2546 -0.3056 3.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4345 -0.7839 5.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8078 0.9646 5.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 -1.0068 3.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8398 -0.3676 5.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 1.4842 3.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8732 1.8973 4.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -0.0784 2.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7851 0.6382 4.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8337 2.8329 3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 1.7870 2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8811 1.7781 0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 2.8054 1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6185 3.5183 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7502 4.5786 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9376 4.9477 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5385 5.2296 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 3.8504 -4.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 3.0083 -4.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 1.4351 -2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 3.1183 -3.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1086 1.6570 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 5.6558 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 4.0423 2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2287 5.4969 3.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 4.2721 3.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 4.9464 4.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2638 6.6774 4.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0238 5.7449 5.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0984 5.4809 2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 6.5552 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 7.2347 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1596 7.4040 4.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 8.2501 3.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 7.8766 3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -1.2548 -5.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -0.5310 -6.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 -2.0512 -5.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9459 -2.6806 -4.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3657 -2.6803 -7.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 -3.1418 -6.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5996 -4.4212 -6.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -5.1106 -7.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 -6.3241 -5.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1232 -5.0462 -4.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 -6.9217 -3.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9556 -6.9294 -5.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 -5.0440 -3.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 -6.4600 -2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4683 -7.6351 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 -8.0995 -5.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 -7.0374 -4.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 -4.0823 -5.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 -5.2368 -3.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8504 -2.4578 -4.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 -3.0268 -3.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 -0.9263 -3.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4547 -4.6648 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 -3.2777 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1561 -2.0397 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 -3.3120 -1.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9843 -4.9068 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 -3.4145 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3614 -3.7412 2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 -2.2023 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5588 -2.9131 -0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 -4.6940 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4805 -3.8232 0.5788 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 1 0 13 14 1 0 14 15 1 0 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 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 20 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 48 42 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 19 89 1 0 19 90 1 0 20 91 1 1 21 92 1 0 21 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 30 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 32106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 1 43120 1 1 44121 1 0 45122 1 0 45123 1 0 48124 1 6 49125 1 0 50126 1 0 51127 1 6 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 25 -1 29 1 M END