HMDB0266337 RDKit 3D PA(24:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 140139 0 0 0 0 0 0 0 0999 V2000 -15.2424 -2.4085 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9995 -2.0585 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0242 -3.1663 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7795 -3.0122 -1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7500 -2.0582 -1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1166 -0.6317 -1.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8346 0.1821 -1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2360 1.6335 -1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3270 1.9095 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7422 3.3167 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8176 4.3575 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2320 4.2179 1.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2044 3.1775 2.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9652 3.5926 1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8199 2.6344 1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0781 1.2823 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9338 0.3227 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 0.7658 0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 0.9899 -0.9264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2885 1.5110 -1.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 0.5431 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 -0.7682 -1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3307 -1.7568 -1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 -1.1636 -1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 -1.4272 -2.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 -0.2931 -0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5201 0.4368 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 -0.4370 0.1146 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4152 -1.4799 1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1226 -0.8651 2.3847 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 -1.9627 3.5849 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0735 -1.3364 4.9112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.3142 3.4623 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 -3.3676 3.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7858 0.3660 0.4735 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 0.5665 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4726 -0.0703 -0.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8696 1.5892 0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 1.3474 2.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 0.0959 2.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1709 -1.1548 1.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 -2.0021 1.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1946 -1.9655 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0341 -0.8197 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1409 -0.8388 1.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6921 -2.0027 2.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 -2.5104 2.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 -2.0505 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 -0.8768 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5336 0.2814 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3040 0.8481 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3853 0.3753 -1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1792 0.9917 -2.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2379 0.4871 -3.8080 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9921 -0.0881 -4.0925 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3804 -0.4838 -4.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6760 0.2167 -3.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9313 -3.0240 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9561 -2.9391 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7624 -1.4619 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3665 -1.9517 -2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6750 -1.0884 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5184 -4.1371 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8282 -3.4129 -0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0439 -2.7431 -3.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2672 -4.0503 -2.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3530 -2.3412 -0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8555 -2.2043 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7604 -0.4815 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5896 -0.2118 -2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4468 -0.2201 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0852 0.0369 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3702 2.2958 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6939 1.8373 -2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2360 1.4047 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3073 1.4037 -0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1944 3.6964 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6488 3.3037 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3600 5.3525 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9930 4.4336 -0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0812 4.1187 2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7301 5.2164 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4767 2.1541 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8969 3.3208 3.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6924 4.5921 1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 3.7372 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6287 2.5734 2.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9131 3.1306 1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2569 1.3517 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9999 0.8704 1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1854 -0.6759 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8074 0.1858 2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 1.5975 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 -0.1040 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4616 1.7027 -1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8533 0.0668 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3213 1.5809 -2.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0884 2.5412 -1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 0.9444 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0969 0.3996 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3623 -1.2408 -1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 -0.6053 -2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -1.9772 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 -2.6728 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7433 1.0705 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 1.1244 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 -1.0004 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 -2.0107 0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1681 -2.2738 1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 -2.6105 4.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 -3.0656 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 2.6137 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 1.6306 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4122 2.2576 2.5855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8935 1.3716 2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7168 0.2704 2.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 0.0428 3.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1032 -1.4195 2.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 -2.9028 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 -1.9656 -0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -2.9685 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7686 0.1911 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6470 0.1698 1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9790 -2.8700 2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5142 -1.9577 3.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3039 -3.4101 2.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8813 -2.5799 1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6688 -0.6909 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1217 -1.2934 -0.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5742 0.7551 1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9151 1.7195 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 -0.4392 -1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7412 1.8451 -2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3318 1.3465 -4.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0601 -0.9523 -4.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3786 -0.7585 -5.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1956 -1.3960 -3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9738 0.8455 -4.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5490 0.9209 -2.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4255 -0.5837 -3.4808 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 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 2 0 24 26 1 0 26 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 31 34 1 0 28 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 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 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 23103 1 0 23104 1 0 27105 1 0 27106 1 0 28107 1 6 29108 1 0 29109 1 0 33110 1 0 34111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 51131 1 0 52132 1 0 53133 1 0 54134 1 6 55135 1 0 56136 1 0 56137 1 0 57138 1 0 57139 1 0 57140 1 0 M END