HMDB0264794 RDKit 3D PA(20:1(11Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 129128 0 0 0 0 0 0 0 0999 V2000 -15.4566 4.4126 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2047 3.5475 -0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9986 2.6227 -1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9843 1.3304 -1.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1726 0.4834 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4585 1.0217 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7033 0.8662 1.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4293 0.1086 2.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3569 1.0202 2.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3095 1.3351 1.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0623 0.8468 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8622 0.0544 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9994 -0.3168 1.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8821 -0.1251 2.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5924 0.6412 2.8990 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6291 0.6776 4.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 -0.0909 2.2474 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6361 -1.4538 2.6328 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 0.2784 2.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0989 -0.5464 1.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 -0.1785 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1837 -1.0355 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6278 -2.0005 0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -0.7430 -1.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 -1.4156 -2.4874 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0202 -0.5416 -2.9191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8638 -0.2591 -1.8477 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 -1.2946 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4257 -2.4702 -1.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 -1.1084 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 -2.4034 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0304 -2.9021 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -1.9789 -1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1749 -1.7506 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 -0.8036 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3661 -0.5493 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0572 -1.8489 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2869 -1.7335 1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9936 -1.2423 2.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4581 -0.1554 3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3963 0.7440 2.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 0.7516 3.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8399 1.5297 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5630 1.5066 1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1219 2.1394 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8828 1.8695 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8972 2.7316 -1.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6106 2.4359 -2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 -1.8924 -3.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -2.5562 -4.5976 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -3.0896 -5.9582 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1929 -2.5362 -7.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -4.7903 -5.9504 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4862 -2.5525 -6.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.6473 4.5146 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3086 5.4298 -0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3170 3.9307 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9573 3.2620 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3737 4.3664 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8281 3.0247 -2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7976 0.7504 -2.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9539 -0.3376 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2437 -0.1801 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4092 1.5993 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0867 1.3562 2.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5407 -0.6146 2.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2142 -0.5416 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4541 1.4548 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6087 2.0636 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0115 1.7496 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9225 0.2331 -0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6767 -0.2743 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1512 -0.9401 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7295 0.1740 3.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6417 -1.1763 2.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6382 1.6730 2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1740 -0.0399 4.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5316 0.0673 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6126 -1.4403 3.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8951 1.3342 2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -0.0117 3.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 -1.6310 2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0787 -0.2763 2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0933 -0.2825 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 0.8756 0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7586 -2.3298 -1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6283 -1.0839 -3.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3305 0.4078 -3.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8635 -0.8032 0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -0.2860 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -3.1513 0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8374 -2.3064 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 -3.8141 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -3.2874 -1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6120 -2.4681 -2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7464 -0.9960 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 -2.6808 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6372 -1.2166 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6120 -1.1532 -1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7923 0.2076 -1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9195 -0.1433 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0004 0.2168 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3514 -2.5123 0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2844 -2.3629 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1136 -1.3087 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5889 -2.8476 1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3003 -1.8699 3.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2157 0.1833 4.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 0.4375 1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9491 1.7808 2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3424 0.9202 4.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0408 -0.3454 3.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5833 1.2505 3.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5902 2.6408 3.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8166 0.4084 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6469 1.8563 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1528 3.2819 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9686 1.9745 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6465 0.8466 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9592 2.3008 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8060 2.4488 -2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8883 3.7952 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7325 2.5395 -3.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 1.4219 -2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8297 3.1881 -2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -2.5378 -3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3176 -1.0214 -4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9209 -5.0976 -5.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 -3.1868 -5.4568 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 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 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 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 2 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 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 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 14 75 1 0 15 76 1 6 16 77 1 0 17 78 1 6 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 25 86 1 1 26 87 1 0 26 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 53128 1 0 54129 1 0 M END