HMDB0272568 RDKit 3D PGP(18:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 143142 0 0 0 0 0 0 0 0999 V2000 -5.0972 -2.0102 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0323 -1.6718 2.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8515 -1.0584 1.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 -1.6128 1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 -2.8340 2.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6769 -3.8896 1.5685 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4966 -4.2953 0.5575 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 -4.9563 2.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0474 -5.5553 2.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -6.5758 2.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6341 -7.2319 2.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -7.1716 1.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 -6.4035 0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 -5.4073 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 -4.9525 0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9869 -3.9336 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1672 -3.3935 1.0960 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9431 -4.4785 1.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5718 -2.7945 2.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -1.6771 2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5874 -1.0074 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 0.4460 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9121 1.1738 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5885 1.1582 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 1.6914 -2.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4381 0.5958 -0.3303 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1841 0.5585 -0.9721 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1291 1.3780 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 1.2875 0.9307 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 1.6287 2.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 2.0434 1.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2491 1.5830 3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1411 1.2752 3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 2.3461 3.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4663 2.1660 3.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 3.1281 2.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 3.1293 1.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6693 3.3444 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4065 3.3429 -0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4055 3.5081 -1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 4.8532 -1.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6689 4.8664 -2.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2973 5.9229 -3.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0562 7.3176 -3.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4759 8.3555 -2.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 8.2276 -1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 9.5066 -1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2794 9.8282 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 -0.8452 -1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 -0.9709 -2.0681 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3919 -2.4924 -2.6684 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5117 -2.4453 -4.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -3.6382 -2.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -3.1158 -2.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6591 -3.7771 -3.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 -4.3434 -3.0676 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8681 -5.2602 -2.0016 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0049 -3.3124 -2.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2377 -2.3381 -3.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4156 -1.2385 -3.1120 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.3195 -0.9356 -4.2815 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7483 0.1941 -2.5447 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3219 -1.9352 -1.8353 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4808 -3.0094 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6115 -1.9279 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9354 -1.2864 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5006 -0.8734 2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 -2.5903 2.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -0.1248 1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8394 -1.0658 1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -2.5422 3.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0598 -3.2720 3.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -3.3595 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9848 -4.9088 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 -5.2329 3.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -5.2613 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9753 -6.8156 3.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -7.9880 3.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 -6.9722 2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7589 -8.3005 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5869 -6.6822 -0.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 -4.8944 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5907 -5.3471 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 -3.5197 -0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7743 -2.7225 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 -4.8250 2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7216 -3.2389 3.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 -1.3079 3.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2493 -1.4974 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -1.0459 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4749 0.9648 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0861 0.4317 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2779 2.2203 -0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 0.7415 -0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3897 1.0742 -2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 2.4585 -0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 1.1724 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 0.7623 3.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 2.5041 3.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4774 0.2628 3.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3145 1.4327 4.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 2.2242 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6626 3.3270 3.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 1.1056 3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4925 2.3191 4.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 4.2116 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3909 3.1132 3.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 2.2367 1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4577 3.9993 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 4.3430 0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 2.5212 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 2.3881 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 4.1662 -0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 3.3881 -2.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 2.7392 -1.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 4.9787 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4895 5.5797 -2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 4.6555 -3.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 3.8604 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0341 5.5373 -3.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 5.9065 -2.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5627 7.3540 -4.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 7.7660 -3.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 8.5479 -1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 9.3681 -3.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5929 7.9572 -2.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 7.4797 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2202 9.3320 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 10.3305 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8489 10.4391 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 10.4823 -0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 8.9050 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 -1.1336 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0024 -1.6028 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 -4.5339 -2.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7848 -3.0988 -4.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9857 -4.6392 -3.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 -4.8946 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 -5.0495 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9527 -3.7727 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6091 -2.7682 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2989 0.9805 -2.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7539 -1.1614 -1.3738 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 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 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 2 0 30 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 27 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 60 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 5 71 1 0 5 72 1 0 6 73 1 6 7 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 6 18 86 1 0 19 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 23 93 1 0 23 94 1 0 27 95 1 6 28 96 1 0 28 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 53135 1 0 55136 1 0 55137 1 0 56138 1 6 57139 1 0 58140 1 0 58141 1 0 62142 1 0 63143 1 0 M END