HMDB0287627 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 140139 0 0 0 0 0 0 0 0999 V2000 -5.9219 -1.2658 -6.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9973 -0.9130 -5.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5926 -1.1877 -5.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6797 -0.2409 -5.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 1.1929 -5.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 2.0433 -6.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7266 2.9856 -6.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0177 3.3191 -5.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3852 4.7330 -5.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5351 5.7387 -4.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 5.5971 -5.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8554 5.8583 -4.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 6.1707 -2.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4379 6.3465 -2.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 5.5322 -0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2976 4.0677 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 3.4234 -1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 1.9123 -1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 1.3828 -2.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3249 -0.1363 -2.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 -0.7397 -2.5489 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.7429 -1.5879 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9699 -2.0418 -1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 -2.6543 -0.1242 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1010 -2.5589 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5263 -1.2693 0.2164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -1.1795 0.3698 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7266 -1.9599 1.5486 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8831 -1.9254 -1.0106 O 0 0 0 0 0 1 0 0 0 0 0 0 3.6850 0.4203 0.4002 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3589 0.7948 1.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 2.2629 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 2.6597 2.6978 N 0 0 0 0 0 4 0 0 0 0 0 0 5.5218 4.1238 2.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 2.2692 3.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8047 2.1534 2.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7811 -4.0536 -0.1732 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 -4.5478 0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 -3.7292 1.6241 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1229 -5.9743 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1618 -6.2798 1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8454 -6.1185 3.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 -6.9536 3.7633 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7063 -6.6163 5.1599 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 -6.8911 3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5151 -6.1125 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 -6.0527 3.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 -5.2778 3.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5649 -4.3959 4.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8663 -3.0223 4.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -2.0105 4.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6661 -2.1788 4.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2038 -1.1848 5.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5893 -1.3103 5.4717 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2640 -2.1770 4.6036 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2747 0.0421 5.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 0.7524 4.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 2.0864 4.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4034 1.9485 4.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 3.3292 5.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5635 -2.1322 -6.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6047 -0.4085 -6.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 -1.5006 -7.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 -0.0081 -4.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 -1.7375 -4.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2423 -2.2129 -6.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6306 -0.5048 -6.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0986 1.3189 -5.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6227 1.5044 -4.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0988 1.8399 -7.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4845 3.5881 -7.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 3.2014 -5.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2262 2.6916 -4.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4396 5.0023 -4.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9213 6.7668 -4.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 6.4070 -5.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 4.6708 -5.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9602 5.7691 -4.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 6.3358 -2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 6.2493 -2.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 7.4359 -1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 5.8887 -0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 5.8613 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 3.6611 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 3.6738 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 3.7636 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 3.7025 -2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 1.5562 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 1.4767 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6449 1.7529 -2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 1.5848 -3.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6054 -2.7149 -2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 -2.3062 -1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 -2.2270 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5082 -3.2616 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 -2.9135 -0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2737 0.1943 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 0.6002 2.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7955 2.8383 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3276 2.5103 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 4.4031 3.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0102 4.5248 1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 4.5488 2.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 1.2597 4.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5968 2.3594 3.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8007 3.0051 4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3421 2.7753 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8227 1.0879 3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3047 2.3266 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2914 -6.6844 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 -6.0769 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6045 -7.3183 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0523 -5.6164 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8087 -6.3628 3.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7096 -5.0245 3.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1478 -8.0296 3.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -5.7364 5.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1139 -7.4976 2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2252 -5.5170 4.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 -6.6666 2.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7582 -5.3070 3.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4058 -4.6466 5.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6608 -4.5461 5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -2.8742 4.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -1.0641 4.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2854 -3.1267 5.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 -0.2110 4.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6685 -1.7674 6.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 -1.9003 3.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 0.5837 6.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 -0.2069 5.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 0.8849 3.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9621 0.1568 3.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 2.6225 5.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9193 2.7263 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 1.4447 5.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 1.3632 4.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2168 3.7192 4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 3.9876 5.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0015 3.1667 5.5713 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 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 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 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 1 44117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 52126 1 0 53127 1 0 54128 1 1 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 29 -1 33 1 M END