HMDB0268045 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)-OH(5S)/i-19:0) 127126 0 0 0 0 0 0 0 0999 V2000 16.7094 -1.5301 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4945 -0.0510 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9965 0.2847 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3476 -0.4893 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8442 -0.2365 -0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5246 1.1635 -1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8503 1.9452 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2031 1.7038 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 0.4269 1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4213 -0.4478 1.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9654 -0.3905 1.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2866 0.7593 1.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5308 0.7851 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2815 -0.3701 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -0.2312 -1.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 -1.4014 -2.5022 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1336 -2.4356 -2.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.8901 -2.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7766 -1.0412 -3.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4181 0.2355 -2.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9636 0.1114 -0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7888 -0.0518 -0.0583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 0.1692 -0.6043 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 0.0625 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 0.1887 0.6347 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7207 1.4190 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 2.5610 0.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 3.9635 -0.3588 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7562 5.1231 0.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 3.7969 -1.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5662 4.1886 -1.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 0.1220 1.8832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8514 -0.8758 2.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 -1.7729 1.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 -0.8830 3.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 -1.8368 3.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 -1.7726 3.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3041 -1.6883 1.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0662 -0.4373 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6116 -0.4325 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0136 -0.2215 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1583 -0.8965 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5636 -0.5525 1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9418 0.9373 1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0772 1.2487 0.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3347 0.4929 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3889 0.9261 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6419 0.1633 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7942 0.4749 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5156 0.1649 -2.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2010 -1.3018 -2.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7534 0.5265 -2.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0477 -1.9242 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5841 -2.1018 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7782 -1.6464 0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0276 0.4869 1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9059 0.2279 -0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6866 -0.0187 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9015 1.3550 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8064 -0.1156 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5685 -1.5749 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6119 -0.7286 -1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2493 -0.8334 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9105 1.6346 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7261 3.0017 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1385 1.9654 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4918 2.5640 1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3729 0.1211 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8145 -1.3987 2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5973 -1.3178 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.6106 2.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3395 1.7157 1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 1.7468 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6798 -1.3299 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1226 0.7708 -1.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 -1.1595 -3.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7505 -3.2661 -2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 -2.3004 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8613 -2.8346 -3.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -1.6798 -2.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 -0.8711 -4.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4321 0.5525 -2.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 1.1081 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4135 -0.9271 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5202 0.9035 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7082 -0.6910 0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.3915 -1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8128 1.3891 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 3.3409 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 3.8415 -2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 0.1580 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6035 -1.0309 4.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5963 -1.9376 5.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1213 -2.9171 3.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5026 -2.6585 3.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4324 -0.9207 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2948 -2.1327 1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6466 -2.5037 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0604 -0.0531 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6707 0.3881 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9666 0.2970 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2359 -1.4308 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1091 -0.2944 -1.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1707 0.9369 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9712 -2.0247 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0500 -0.8210 -0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5231 -1.0949 1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8410 -0.6825 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0690 1.5411 1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2783 1.1930 2.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7953 1.0503 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3358 2.3365 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7017 0.7301 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2459 -0.6045 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5276 2.0166 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0405 0.6267 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9898 0.3440 1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4359 -0.9285 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1227 1.5073 -0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6364 -0.1940 -0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6244 0.7404 -2.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7278 -1.6808 -3.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5421 -1.8892 -1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1121 -1.4557 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2789 -0.3652 -3.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4865 1.1069 -2.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4736 1.1539 -3.7543 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 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 25 32 1 0 32 33 1 0 33 34 2 0 33 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 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 50 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 16 76 1 6 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 0 24 85 1 0 25 86 1 6 26 87 1 0 26 88 1 0 30 89 1 0 31 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 52127 1 0 M END