HMDB0267528 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)-OH(19S)/i-14:0) 112111 0 0 0 0 0 0 0 0999 V2000 -14.3964 -0.2721 1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2452 -0.0136 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7286 1.3487 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7714 -0.2126 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5058 0.0117 -2.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1180 -0.1929 -2.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9928 0.6123 -2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5731 0.7298 -0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2396 -0.5077 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2008 -1.4239 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7809 -1.1000 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2922 -0.0235 -1.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7407 0.0564 -1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3716 0.4326 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2463 0.8827 0.6508 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 0.3312 0.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 0.7207 1.7468 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7023 1.7079 1.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 1.1173 1.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6806 1.8435 1.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 3.0170 1.7203 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 1.1791 0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.1927 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8369 -0.9183 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8338 -1.0696 0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 -0.5664 0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5150 0.2213 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 1.5723 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1485 2.0165 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2409 1.2236 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 1.8586 -1.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0875 2.2262 -1.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1098 2.1075 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 1.6051 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5167 0.5424 0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4494 -0.2893 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8032 -0.2959 0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7882 -1.0828 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3722 -2.5105 -0.1876 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1943 -3.1292 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2920 -2.6285 -1.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4455 -0.5872 2.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 -1.1391 1.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8754 -2.5824 2.5852 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4009 -3.5660 1.5477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 -3.2216 3.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4189 -2.2045 3.6383 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7226 0.6243 1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1344 -1.0855 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4304 -0.6472 1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8176 -0.7930 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3487 1.3366 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3826 1.7042 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8903 2.0626 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4915 -1.2826 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1566 0.4047 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1499 -0.7509 -2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9434 0.9825 -2.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8191 -1.3041 -2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0746 -0.1798 -3.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0800 0.2695 -2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0917 1.6930 -2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2348 1.3553 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6453 1.4085 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0036 -0.2072 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1884 -1.1068 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2969 -2.3519 0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4966 -1.9212 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2578 -2.0595 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2879 -1.0503 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6590 -0.0889 -2.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5591 0.9755 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -0.8795 -1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5098 0.9050 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7119 1.1432 2.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5834 2.1279 2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9423 2.5758 1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 1.1060 1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 1.8422 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 -0.2484 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2755 -0.8159 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1446 -0.5491 -1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4663 -1.9864 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5619 -1.6491 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 -0.7107 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2591 -0.3641 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 0.3843 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1439 2.2144 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 3.0486 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7916 0.2596 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8329 0.8122 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2264 2.0579 -2.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4346 2.7113 -2.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6192 3.1787 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0051 1.5649 -1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2554 2.2179 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2743 0.2824 1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4836 -0.1932 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0147 -1.3578 0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6317 -0.7238 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1433 0.7527 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9084 -0.6858 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8290 -0.9948 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2610 -3.0202 -0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0971 -3.2291 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7407 -2.5966 1.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5800 -4.1617 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5492 -2.4889 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2564 -1.3116 2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1429 -0.3438 3.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 -3.3504 2.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 -1.8534 4.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 17 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 1 18 76 1 0 18 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 6 40105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 42110 1 0 46111 1 0 47112 1 0 M END