HMDB0266347 RDKit 3D PA(24:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 142141 0 0 0 0 0 0 0 0999 V2000 16.9208 1.7209 -4.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8096 0.5378 -3.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4041 0.0172 -2.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0057 -1.2217 -2.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9010 -2.2813 -3.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5155 -2.8528 -3.2213 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4999 -3.8290 -4.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3878 -1.9504 -3.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5073 -1.7013 -2.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3805 -0.8405 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5035 -0.6575 -1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4177 0.2051 -1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7189 0.0532 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2895 -0.7606 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6596 -0.8910 1.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4233 -0.2109 2.2473 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2110 1.0822 1.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2973 -1.1769 1.9336 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6487 -2.5034 2.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4411 -0.8960 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0335 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 -2.3809 1.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 -1.3870 2.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1299 -1.4642 3.2697 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -0.4081 1.2611 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9959 0.4746 1.7562 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8824 0.4443 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 1.1693 1.1337 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.7761 2.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 -0.2903 2.7948 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2706 1.4441 2.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4435 1.4209 1.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 2.1409 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1491 2.2730 -0.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6559 1.2423 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -0.0780 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -1.0821 -0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6313 -2.4488 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5031 -2.7487 0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8741 -2.1908 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7835 -2.4842 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1350 -1.8752 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0883 -0.3775 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5361 0.1452 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5085 1.6131 0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7914 2.2455 0.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9142 2.2366 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5444 0.9918 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0985 0.0923 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1679 0.7134 1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3902 1.1525 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9956 -0.0298 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2190 0.4819 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5431 1.9117 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 2.0138 2.5498 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2923 3.5874 2.5563 P 0 0 0 0 0 5 0 0 0 0 0 0 5.5663 3.6536 3.3787 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 4.6733 3.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5901 4.0228 0.9445 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9291 1.8756 -5.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3016 2.6711 -3.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8961 1.5804 -3.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8478 0.9850 -3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8019 -0.1459 -4.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4186 0.6700 -1.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7062 -1.5357 -1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2302 -1.9798 -4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6403 -3.0904 -2.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3504 -3.4977 -2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5586 -4.0644 -4.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1733 -1.4139 -4.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7215 -2.2417 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1394 -0.2832 -3.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8561 -1.2361 -0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6441 0.8177 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8442 0.6613 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2227 -1.3649 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1582 -1.5654 2.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 -0.1851 3.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1794 1.7238 2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5795 -1.0354 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4894 -2.7307 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0056 -0.8228 -0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 0.0527 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8657 -1.7690 -0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1007 -2.9283 0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1535 -2.7229 2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9787 -3.3356 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 0.1563 2.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 0.8426 -0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 -0.6262 0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0018 2.5286 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 0.9954 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8502 0.4263 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2758 2.0236 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1829 1.5941 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 3.1562 0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0749 2.8373 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 3.2074 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4453 1.8005 -2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8802 1.0630 -2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 -0.4087 -1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9081 0.0982 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6334 -1.2629 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3823 -0.6769 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0104 -2.9964 -1.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 -3.0450 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9418 -2.5927 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6487 -3.8909 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3949 -2.7831 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9762 -1.1650 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8959 -3.5848 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 -2.0257 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6163 -2.3440 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7414 -2.1133 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5338 -0.0243 0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7631 0.1412 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8995 -0.3279 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1216 -0.2580 -0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0039 2.1316 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8027 1.8641 1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6250 3.3603 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1801 1.8769 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7536 2.8621 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6175 2.8003 -1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0273 0.3883 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4767 1.3530 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2717 -0.2165 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4384 -0.8353 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7326 1.5698 1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5239 -0.0838 2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1443 1.9799 -0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1033 1.5704 1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3002 -0.5641 -0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3843 -0.7097 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1101 0.3481 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2776 -0.0675 -1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1210 1.5579 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7559 2.5282 2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7735 2.2434 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 5.5332 3.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 3.1915 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 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 51 52 1 0 52 53 1 0 26 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 1 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 1 17 80 1 0 18 81 1 1 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 1 27 90 1 0 27 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 58141 1 0 59142 1 0 M END