HMDB0273581 RDKit 3D PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/20:3(8Z,11Z,14Z)) 143142 0 0 0 0 0 0 0 0999 V2000 3.1958 -3.4079 4.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -2.7665 3.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 -1.2579 4.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6761 -0.6631 3.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7430 0.8660 3.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 1.3297 2.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 2.1426 1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 2.6576 1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4308 4.0996 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 4.7833 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 4.0952 -1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 4.7302 -2.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1138 5.1834 -3.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 5.0569 -3.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3697 4.2822 -4.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0635 3.0088 -5.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 1.9291 -4.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 1.1658 -3.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8665 1.9663 -2.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8747 1.0707 -2.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 -0.1582 -2.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 1.4380 -1.8601 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 0.5675 -1.2000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3083 0.0445 -2.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1707 0.9241 -2.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 0.3355 -3.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3453 -0.9463 -3.3203 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2423 1.0890 -4.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5442 0.2141 -4.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8856 0.2975 -2.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0350 -0.5036 -2.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2152 -0.2612 -2.7316 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7671 -1.8462 -1.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7433 -2.2248 -0.5831 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6062 -2.9911 -2.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3284 -4.1922 -1.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2632 -4.9382 -1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1148 -4.5770 -2.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8675 -5.7133 -3.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -6.3959 -3.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4794 -6.2019 -3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -5.1025 -2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -5.2284 -0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 -6.5084 -0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3664 -6.5105 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7872 -6.2948 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 -7.2787 -1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 -6.8668 -2.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7031 1.1036 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 1.3025 1.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 1.8893 2.4763 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3780 1.0057 3.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9177 3.4376 2.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 2.0994 3.6321 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 3.3138 4.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 3.5801 5.3811 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9870 3.6162 4.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 4.9982 5.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 5.1958 6.8148 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 6.6822 7.5718 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2625 6.9548 8.2524 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 7.9589 6.5091 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 6.7572 8.8136 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -3.6693 5.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 -4.3582 3.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2914 -2.7753 4.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4694 -2.9615 2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 -3.2265 4.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5063 -0.8231 3.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -1.0939 5.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5661 -1.1380 3.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6942 -0.9307 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 1.2492 3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 0.9810 4.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9015 0.9898 3.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 2.4750 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 2.1743 1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 2.2963 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5897 4.6694 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 5.8506 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8646 3.0213 -1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 4.3474 -1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7056 4.8640 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7801 5.6366 -4.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0073 4.8011 -2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 6.1638 -3.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 4.9682 -5.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 4.2449 -5.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 2.5760 -6.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1591 3.2758 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7813 2.1489 -3.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7907 1.1152 -4.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 0.4455 -2.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5265 0.4417 -4.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3022 2.5950 -3.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 2.6300 -2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 -0.3728 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 -0.6895 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 -0.6277 -2.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4109 2.0695 -3.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9917 1.2395 -5.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2724 0.7221 -4.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2824 -0.8033 -4.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9664 0.1128 -1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0839 1.4049 -2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2510 0.0891 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9741 -0.7814 -2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7991 -1.8022 -0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7089 -1.5255 0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6580 -3.1268 -2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 -2.7834 -3.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1268 -4.4978 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1809 -5.7933 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5025 -3.7689 -3.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3201 -4.1678 -2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7658 -6.0397 -4.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 -7.2481 -4.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 -7.2114 -2.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 -6.1548 -3.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 -4.0449 -2.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 -4.3049 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8398 -7.4172 -0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4556 -6.4839 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1641 -7.4532 0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3418 -5.6398 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 -6.1859 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 -5.2951 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 -8.3138 -1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1311 -7.3316 -2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -7.6105 -3.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 -6.7047 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -5.8781 -2.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 2.0846 -0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 0.3919 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 4.0222 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1666 4.1431 3.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3316 3.2837 4.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6681 2.9216 6.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 3.1009 5.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 4.9305 6.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 5.7138 5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 7.6751 5.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7753 5.9214 9.3582 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 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 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 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 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 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 1 24 98 1 0 24 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 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 1 57139 1 0 58140 1 0 58141 1 0 62142 1 0 63143 1 0 M END