HMDB0273684 RDKit 3D PGP(20:4(5Z,8Z,11Z,14Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) 141140 0 0 0 0 0 0 0 0999 V2000 14.2886 1.8941 2.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3509 3.3990 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8249 4.0259 1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1432 3.7782 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7206 4.1466 -0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7103 3.4804 0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7090 2.7213 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4855 2.4499 -1.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2757 2.8575 -2.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 3.5089 -1.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9736 4.0450 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8808 3.6309 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0278 2.7175 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9055 1.8374 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 1.9788 -1.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8166 0.9960 -1.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 -0.3731 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 -1.3638 -2.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8884 -1.3748 -3.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6344 -1.7766 -2.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0765 -2.8741 -3.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 -1.1052 -1.9051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1622 -1.4063 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 -2.4717 -0.2123 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5436 -3.7450 -0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8973 -3.6128 -0.6933 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6419 -5.0927 -0.9998 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1354 -4.9445 -1.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 -5.7190 -2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 -6.1705 0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 -7.1764 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 -8.2081 0.8815 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6010 -7.6140 1.9822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -9.2694 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8504 -9.9002 -0.7534 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -11.0949 -1.3484 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3382 -11.3040 -0.3824 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 -12.5206 -1.5319 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8488 -10.6355 -2.8359 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5106 -2.6961 0.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -2.2994 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -1.7131 2.1633 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -2.5942 1.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9718 -1.9734 2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9014 -0.4993 2.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5984 0.3183 1.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 0.1241 0.6374 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0435 0.5647 2.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3388 1.7700 1.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9682 -0.4941 1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8031 -0.7474 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6481 -0.6303 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0245 -0.2139 -0.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7581 0.1170 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2563 1.3130 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1110 2.4922 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4565 3.5648 0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9932 4.7439 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3040 5.1227 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2699 5.4841 1.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5986 5.8568 0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4652 7.0172 -0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8544 7.2719 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3269 1.5086 1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1813 1.4645 1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3635 1.5426 3.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5037 3.8314 2.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2150 3.6043 3.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9597 3.8801 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7839 5.1563 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3460 2.7233 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7147 4.3947 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6575 5.2587 -0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5170 4.1831 -1.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7535 3.6234 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0586 2.2784 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 1.2930 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3911 2.8029 -2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2158 2.5558 -3.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 3.7138 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9345 4.1708 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 5.2039 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8033 4.2098 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 2.5649 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7921 1.7675 -1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8636 0.7450 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 2.9524 -2.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8944 1.2037 -2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9816 -0.6241 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7238 -0.6352 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0067 -1.2153 -3.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 -2.3917 -2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1452 -2.0613 -4.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -0.3313 -3.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9614 -1.6450 -2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 -0.4727 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3197 -1.9726 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0909 -4.3532 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4621 -4.4486 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 -5.8376 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -6.7438 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9604 -7.6732 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -8.7251 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1672 -8.1340 2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1116 -10.0034 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6772 -8.8248 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 -12.7505 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4674 -11.3263 -3.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0844 -2.4080 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5104 -3.7163 1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2476 -2.3559 3.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9299 -2.4393 3.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3535 -0.2196 3.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 -0.2012 2.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1121 1.3976 2.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1887 0.9727 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3704 0.7914 3.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0822 2.5183 1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0011 -0.3060 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6727 -1.4547 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7818 -1.1211 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -0.9043 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1426 0.6040 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6426 -1.0501 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9902 -0.6715 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8035 1.4375 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4217 2.3010 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0843 2.7757 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4769 3.3949 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4313 5.4883 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7552 4.4451 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1111 6.0772 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4606 4.5358 1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9010 6.2999 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9388 4.9364 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3067 6.1305 1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8055 6.8247 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0873 7.8903 0.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4955 7.8703 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7221 7.7833 -1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3343 6.2959 -1.1188 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 1 0 15 16 2 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 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 36 39 1 0 24 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 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 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 31101 1 0 31102 1 0 32103 1 1 33104 1 0 34105 1 0 34106 1 0 38107 1 0 39108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 47116 1 0 48117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 1 0 63140 1 0 63141 1 0 M END