HMDB0289429 RDKit 3D PC(P-16:0/20:4(5Z,8Z,11Z,14Z)-OH(20)) 134133 0 0 0 0 0 0 0 0999 V2000 -4.9488 7.0536 -3.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5871 6.2055 -2.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0704 6.2715 -2.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5302 5.7668 -4.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1137 4.2928 -4.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6339 3.8998 -5.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4871 2.5491 -6.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2159 1.8888 -6.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2656 1.6759 -5.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0371 0.8809 -5.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 1.5472 -6.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7456 2.9054 -6.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 2.9600 -5.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5567 2.1431 -5.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 2.3426 -4.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 1.3059 -3.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2051 1.4636 -2.3792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 0.4243 -1.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9768 0.7702 -0.1941 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2882 1.9882 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 1.6161 0.7113 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 2.8506 1.4017 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2599 3.2454 2.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0051 4.1925 0.3642 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4717 2.2982 1.7393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4658 0.9907 2.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8982 0.6048 2.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0731 -0.7121 3.0178 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9445 -1.5815 2.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2463 -1.3617 2.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2762 -0.7884 4.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3081 1.0013 -0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 0.2920 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9831 -0.5648 0.9193 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7914 0.5166 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6726 -0.2580 0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 0.2986 2.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2323 -0.4202 3.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -1.0554 4.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2668 -1.1094 4.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 -0.5115 5.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -1.0609 6.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9566 -2.4658 6.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4924 -3.2416 7.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 -4.2898 7.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7673 -5.0514 6.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6334 -4.6751 5.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0236 -5.3302 4.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3355 -6.6069 4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -7.6136 3.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -7.2179 2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 -7.0645 1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 -6.6610 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 -6.4877 -0.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3616 8.0831 -3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8621 7.1690 -3.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1023 6.5474 -4.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1674 5.1996 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2883 6.5827 -1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5794 5.7500 -1.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3747 7.3473 -2.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6329 5.8066 -4.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1058 6.3456 -4.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0109 4.2672 -4.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5730 3.7096 -3.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1556 4.6006 -6.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7239 4.2474 -5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1853 2.4416 -7.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0043 1.8591 -5.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6532 2.5069 -7.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4094 0.8946 -7.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9222 2.6498 -4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 1.1027 -4.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 0.6120 -4.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 -0.0726 -6.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4111 0.9113 -7.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 1.6378 -7.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 3.6640 -6.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 3.2454 -7.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 2.7258 -4.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 4.0342 -5.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0396 2.5024 -6.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 1.0827 -5.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5286 3.3521 -4.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 0.3169 -3.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.4729 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 0.1373 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 -0.0432 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 2.8401 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7409 2.3029 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 0.3530 1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.9454 3.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5083 0.7105 1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3334 1.3534 3.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1218 -2.5897 3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9008 -1.6198 1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 -1.1234 3.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1156 -0.6546 2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5309 -2.2082 3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -1.6933 1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -1.8376 4.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0673 -0.1330 4.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 -0.7377 5.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 1.5738 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9518 0.0141 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -1.3191 0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7288 -0.1585 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9642 1.3424 2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 0.5207 2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 -0.4094 2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4382 -1.5589 4.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 -2.0880 4.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7433 -0.4338 3.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 0.5457 5.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -0.4939 7.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0354 -3.0098 5.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -2.3880 6.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2024 -2.8374 8.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4927 -4.6885 8.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3813 -6.1297 6.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -5.2704 6.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1380 -3.7365 4.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -4.9076 3.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1308 -6.9647 5.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -6.4651 4.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1048 -7.7221 3.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5524 -8.6178 3.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -8.0226 1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 -6.2972 1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 -6.2303 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 -7.9913 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 -5.6826 0.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4398 -7.3851 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -5.8263 -1.2675 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 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 18 86 1 0 18 87 1 0 19 88 1 1 20 89 1 0 20 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 29 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 31103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 M CHG 2 24 -1 28 1 M END