HMDB0286121 RDKit 3D PC(17:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 138137 0 0 0 0 0 0 0 0999 V2000 -9.3172 3.0559 0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1380 2.1610 0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0862 2.9547 1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9562 1.9937 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8212 2.6946 2.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7119 1.8039 2.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 1.5020 4.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 2.0158 5.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3309 0.9502 6.3316 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8354 1.6055 7.4747 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3283 -0.0089 6.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 0.2398 6.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -0.7859 7.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 -0.5811 7.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 0.6506 6.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 0.2594 5.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6288 0.6993 4.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6103 1.6504 4.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 2.8880 3.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1199 2.5320 2.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2536 2.0160 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 2.1820 1.2404 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 1.3160 0.0973 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 0.8559 -0.8957 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8394 -0.6121 -1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4678 -1.3763 -0.0109 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1774 -1.5221 1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2802 -0.9615 1.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 -2.3573 2.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5965 -3.1181 1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3506 -4.1132 0.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6193 -5.2003 1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 -6.1945 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 -5.6566 -1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -5.0758 -0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5023 -4.5764 -2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9003 -4.0052 -1.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 -3.5149 -3.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 -2.4145 -3.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6123 -1.1908 -2.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9727 -0.6357 -2.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7699 -0.2182 -3.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1236 0.8494 -4.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8721 2.1256 -3.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1985 1.5137 -2.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 1.0173 -3.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 1.6046 -4.7105 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4696 2.7799 -4.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 2.1207 -4.9175 O 0 0 0 0 0 1 0 0 0 0 0 0 0.1925 0.3962 -5.8683 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -0.2177 -5.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -1.2816 -6.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 -1.9924 -6.6027 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.1818 -3.4158 -6.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3521 -1.7327 -7.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 -1.7198 -5.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0001 4.1331 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7599 2.8515 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1060 2.9220 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4796 1.2797 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7163 1.7879 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4867 3.3317 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7598 3.7971 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2979 1.0844 2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5574 1.6907 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4461 3.4522 1.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 3.2989 3.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 1.3407 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4105 0.7975 4.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5917 2.8134 5.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0022 2.5729 5.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1828 0.3813 5.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4178 2.3697 7.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6473 -0.9964 7.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 1.1794 6.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 -1.7269 7.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 -1.3498 7.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2179 1.5185 6.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5415 0.9244 7.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5233 -0.4634 5.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 0.3432 3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 1.1788 3.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 1.9055 4.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 3.6075 3.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8823 3.3847 4.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 1.8248 2.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6409 3.4744 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 1.1591 -0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1766 -0.8038 -1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8984 -0.9198 -1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 -3.0361 2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 -1.7113 3.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0484 -3.5966 2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 -2.3665 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 -3.6262 -0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -4.5910 0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 -4.7610 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0939 -5.7430 1.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 -6.5695 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4101 -7.1013 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 -4.9593 -1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -6.5301 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8454 -4.2137 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 -5.8559 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 -5.4438 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 -3.8021 -2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5206 -4.8677 -1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8992 -3.2780 -1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5428 -3.1669 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5306 -4.3643 -3.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 -2.7008 -4.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2851 -2.1216 -4.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1363 -1.4414 -1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 -0.4629 -3.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -1.3829 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8238 0.2468 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7338 0.2041 -3.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0429 -1.0518 -4.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 0.5469 -5.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8509 1.0910 -5.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4593 2.2039 -2.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7840 2.2261 -3.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1067 3.0161 -4.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 1.3171 -2.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0903 2.6119 -2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8067 0.5847 -5.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 -0.5921 -4.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -1.9893 -6.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -0.7597 -7.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9762 -4.0031 -6.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 -3.5783 -6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 -3.7949 -7.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 -2.3468 -7.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 -0.6593 -7.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -2.1157 -8.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -0.6479 -5.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6171 -2.0724 -4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1408 -2.2530 -5.3754 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 1 0 9 11 1 0 11 12 2 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 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 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 6 10 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 1 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 54130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M CHG 2 49 -1 53 1 M END