HMDB0294318 RDKit 3D CDP-DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-22:0) 168169 0 0 0 0 0 0 0 0999 V2000 4.3171 -0.5664 4.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 0.2119 4.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -0.0729 3.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 0.2968 2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3795 -0.0366 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1404 0.6809 1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 1.5076 0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 1.8034 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5197 2.6174 -1.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 3.2467 -1.1723 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0341 4.3141 -2.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9548 2.2842 -1.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2187 2.9414 -1.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2334 3.1168 -1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 2.6587 -3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2513 1.6103 -3.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8453 0.4024 -3.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8096 -0.7049 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5666 -1.7919 -2.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1654 -2.2535 -2.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6354 -2.8826 -4.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3675 -3.3219 -5.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2864 -2.9751 -4.2788 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5078 -3.5315 -5.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 -3.2041 -4.9500 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8067 -3.5332 -3.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8561 -4.9237 -3.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -5.3500 -1.6707 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2742 -4.3414 -0.9697 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1237 -6.8503 -1.5882 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 -5.4391 -0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2763 -6.8195 0.0733 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6834 -7.3948 -0.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -8.0239 -0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1631 -6.3377 1.6846 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 -6.8245 2.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 -6.3564 3.7396 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9455 -4.9997 3.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9196 -4.4965 4.5981 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7381 -3.5312 3.9341 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -2.2546 3.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -1.2632 3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1536 -1.6073 2.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 -0.5546 2.0394 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6277 -2.8617 2.7554 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -3.8377 3.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3508 -5.0136 3.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -5.6097 5.3087 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9906 -5.7944 6.6047 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 -6.8347 4.5380 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7326 -7.8848 5.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 -1.7859 -5.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0154 -1.0903 -5.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8879 -1.7809 -6.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 0.3612 -5.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4649 0.8444 -6.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3706 0.5827 -5.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.9671 -5.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4746 0.7403 -3.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 1.0680 -3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6321 0.9625 -2.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0091 1.9644 -1.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 2.0036 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9268 3.0737 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 3.1009 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 4.1438 2.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4382 3.8922 2.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8558 4.9736 3.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 4.7489 4.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 5.8426 4.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 7.2033 4.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 7.1754 2.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3027 8.4677 2.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5394 8.3576 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7615 8.7234 1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7048 -1.0473 5.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 0.1010 3.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1239 -1.3776 3.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 1.2640 4.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.1810 5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.5533 3.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -1.1229 3.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 1.3459 2.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3719 -0.3335 1.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 -1.1412 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 0.1938 0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3257 0.4914 2.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 1.9715 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 1.3702 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0676 2.8226 -2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8632 3.6375 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 4.7699 -2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 2.0062 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 1.3297 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4019 3.3369 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1331 3.6247 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 2.3321 -3.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5377 3.5372 -3.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 1.9008 -3.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7555 0.2221 -3.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8227 -0.3188 -3.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7653 -1.0876 -5.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8274 -1.4235 -1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2213 -2.6423 -3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -3.0542 -2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4526 -1.4700 -2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6028 -4.6398 -5.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 -3.0866 -6.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 -3.7522 -5.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -3.0298 -2.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 -3.1981 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 -7.1862 -2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 -8.9190 -0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1618 -6.4105 1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9478 -7.9143 2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 -6.7462 4.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3239 -3.9300 5.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -2.0151 4.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 -0.2381 3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9351 -0.5055 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 0.1920 2.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6393 -5.5480 5.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 -4.9337 6.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9035 -7.2676 3.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5598 -8.3810 5.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 0.7040 -6.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1849 0.8423 -4.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 0.3729 -7.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 1.9511 -6.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 -0.5305 -4.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 1.1403 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 2.0149 -5.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 0.2572 -6.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 1.3104 -3.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3127 -0.3456 -3.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1402 2.0268 -4.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.2832 -4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5101 -0.0733 -2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6912 1.1488 -2.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9495 1.6625 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0699 2.9557 -2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7133 2.2396 -0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5537 1.0030 0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 2.9139 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 4.0445 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 2.1050 2.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6078 3.4042 1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 5.1547 2.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4006 4.0718 3.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 4.0189 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1822 2.8872 3.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 5.9779 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 5.0182 4.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8066 4.5506 3.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 3.8037 4.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 5.6667 5.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 5.8710 5.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 7.9245 4.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 7.5474 4.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 6.3741 2.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 6.9611 3.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 9.3458 2.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 7.3103 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5313 8.6286 1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 8.9797 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2598 9.3975 2.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8503 9.0557 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 7.7265 1.8368 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 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 2 0 42 43 1 0 43 44 1 0 43 45 2 0 45 46 1 0 46 47 2 0 39 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 50 37 1 0 46 40 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 9 90 1 0 10 91 1 1 11 92 1 0 12 93 1 0 12 94 1 0 13 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 20105 1 0 20106 1 0 24107 1 0 24108 1 0 25109 1 6 26110 1 0 26111 1 0 30112 1 0 34113 1 0 36114 1 0 36115 1 0 37116 1 1 39117 1 1 41118 1 0 42119 1 0 44120 1 0 44121 1 0 48122 1 1 49123 1 0 50124 1 6 51125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 61138 1 0 61139 1 0 62140 1 0 62141 1 0 63142 1 0 63143 1 0 64144 1 0 64145 1 0 65146 1 0 65147 1 0 66148 1 0 66149 1 0 67150 1 0 67151 1 0 68152 1 0 68153 1 0 69154 1 0 69155 1 0 70156 1 0 70157 1 0 71158 1 0 71159 1 0 72160 1 0 72161 1 0 73162 1 0 74163 1 0 74164 1 0 74165 1 0 75166 1 0 75167 1 0 75168 1 0 M END