HMDB0271006 RDKit 3D PG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/a-25:0) 154153 0 0 0 0 0 0 0 0999 V2000 3.1800 1.8492 -2.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 1.4524 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1469 2.2310 -0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5196 3.6784 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5432 1.6619 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 2.3449 0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4604 1.8214 2.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6679 0.3486 1.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 -0.2272 3.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8738 0.2995 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5754 -0.0060 1.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0184 0.3419 1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 0.0300 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0491 0.9019 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4833 0.6361 -1.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9595 0.7056 -2.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3156 0.4713 -3.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7946 -0.8537 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4157 -1.9756 -3.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0009 -3.3578 -3.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6567 -3.8280 -3.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4554 -3.1440 -3.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2155 -2.9754 -5.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9679 -2.1188 -5.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7594 -2.6981 -4.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6317 -3.9334 -4.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7257 -1.8964 -4.3883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5506 -2.3327 -3.7939 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5343 -2.0284 -2.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.3380 -1.6781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 -2.2979 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2312 -2.0002 0.3411 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0751 -2.5922 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9117 -2.7249 1.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 -3.1558 2.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1152 -3.4770 3.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8534 -3.0319 4.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9815 -2.1123 4.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -1.2156 6.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9851 0.0145 6.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 1.1374 5.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2351 2.2099 5.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 2.8930 5.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 2.7905 3.5849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6802 4.0599 2.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 5.0237 2.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 4.9649 2.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8041 6.0080 2.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6411 6.1535 2.1749 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2406 5.9791 0.9434 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 5.4193 3.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 5.9155 4.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -1.8823 -4.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -2.3814 -3.8622 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 -1.9755 -4.6095 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4436 -2.9976 -5.7345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -0.4337 -5.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4794 -2.1214 -3.4912 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 -1.8935 -4.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7613 -2.0622 -2.9655 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0328 -1.8437 -3.4631 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -1.1276 -1.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3107 -1.2749 -0.7594 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 1.8297 -2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8514 2.7747 -2.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 1.0424 -2.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 0.3897 -1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1308 1.5238 -0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 2.1092 -1.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 4.2567 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 4.1205 -1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 3.8489 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 1.8070 1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 0.5782 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5104 3.4098 1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3992 2.4006 -0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3491 2.4326 2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7319 2.0861 2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 -0.0810 2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 0.0195 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5154 -1.3330 2.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9075 -0.0774 4.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 1.3927 3.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3642 -0.1966 4.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 0.5624 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3703 -1.0724 1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1031 1.4450 2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5913 -0.1595 2.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7133 0.2393 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4989 -1.0445 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2666 1.9780 -0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 0.8681 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9775 1.3964 -2.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0957 -0.3819 -2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4783 0.0302 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3029 1.7459 -1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9780 1.3192 -4.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4198 0.4436 -3.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0992 -0.8188 -5.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7005 -0.8002 -4.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3326 -1.7773 -2.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5302 -1.9151 -3.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7196 -4.0338 -3.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2497 -3.6385 -4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5958 -4.8984 -3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5861 -4.0325 -2.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2336 -2.2501 -3.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 -3.8202 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 -2.4420 -5.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9689 -3.9331 -5.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7927 -1.8275 -6.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1185 -1.1280 -4.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 -3.4781 -3.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3355 -2.6618 -1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -0.9634 -2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4468 -3.5683 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 -1.8407 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 -1.7395 2.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -3.4426 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 -2.3031 2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 -4.0260 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -4.2012 4.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5497 -3.4529 5.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9216 -2.7487 5.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -1.5712 3.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7441 -1.8595 7.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 0.3724 7.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2013 1.5553 5.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 0.9219 4.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2503 2.4907 6.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 3.6915 5.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 2.6573 3.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 1.9673 3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 4.0949 2.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4409 5.9331 2.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 4.1575 3.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4014 6.8502 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 7.2574 2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 6.8226 0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 4.3413 3.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 5.5554 3.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5315 6.7771 5.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 5.1149 5.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 6.2547 4.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6911 -0.7649 -4.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 -2.2363 -5.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0386 -0.3225 -5.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9202 -2.5804 -4.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7425 -0.8254 -4.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 -3.0950 -2.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6965 -1.8082 -2.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 -1.3351 -1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4635 -0.0738 -2.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6633 -2.1824 -0.6950 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 3 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 1 0 17 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 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 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 28 53 1 0 53 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 60 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 22107 1 0 22108 1 0 23109 1 0 23110 1 0 24111 1 0 24112 1 0 28113 1 1 29114 1 0 29115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 46135 1 0 47136 1 0 48137 1 0 49138 1 1 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 57147 1 0 59148 1 0 59149 1 0 60150 1 1 61151 1 0 62152 1 0 62153 1 0 63154 1 0 M END