HMDB0280707 RDKit 3D PIP(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) 152152 0 0 0 0 0 0 0 0999 V2000 -4.2044 -6.8270 -10.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1015 -6.3550 -8.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 -5.4431 -8.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0871 -4.1948 -8.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -3.4641 -8.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 -2.3268 -9.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7809 -1.0840 -8.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 -0.8021 -7.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9064 -0.0679 -6.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9325 1.0704 -6.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7369 1.8152 -5.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6925 3.2065 -6.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6547 4.2331 -5.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 4.0022 -4.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 4.4724 -3.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3868 5.2665 -2.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5144 5.8523 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 7.3775 -1.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 7.6745 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7509 7.0458 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 7.3217 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0355 6.5042 2.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9303 5.9399 2.7072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 6.3624 2.3874 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 5.6531 3.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 4.2195 3.0528 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9522 3.4404 2.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 3.8390 1.4557 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8969 2.7101 1.1335 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8412 3.3529 0.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6607 2.4179 2.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 1.2868 0.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 0.4752 -0.0089 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0558 0.3317 -1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 0.8167 -2.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 -1.0674 -1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3973 -1.0053 -3.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 -1.9661 -1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -2.0052 -1.7749 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -1.5815 0.2271 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3025 -0.7777 0.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5062 -1.3758 1.2964 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9235 -0.3423 2.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8371 -1.7589 0.3288 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 -2.7755 2.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0755 -0.8827 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -1.6526 0.2523 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 3.5871 4.1658 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 3.0104 4.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5251 3.1599 2.8789 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 2.2696 5.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0518 2.0175 6.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 1.3631 6.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 1.0075 7.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 -0.1576 7.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 -1.2950 6.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 -1.6435 6.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 -2.8207 6.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4974 -4.0227 7.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 -5.0511 6.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0213 -5.6457 5.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 -5.3842 5.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 -6.6978 5.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9382 -7.2981 4.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 -6.7438 3.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8224 -6.5267 3.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -5.9423 2.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6934 -5.6973 2.1045 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5124 -6.9737 2.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1394 -4.7705 3.0692 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -6.1186 -11.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2838 -6.7942 -10.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 -7.8576 -10.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1431 -5.9160 -8.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2564 -7.2734 -8.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2674 -5.8605 -8.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0409 -3.6307 -8.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9636 -4.1547 -8.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -3.3042 -7.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -2.5417 -10.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -0.2237 -9.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5962 -1.6371 -6.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -0.1686 -7.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8537 -0.6008 -7.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9036 1.5396 -5.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 1.8502 -4.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 1.2944 -6.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6911 3.4053 -7.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 5.2691 -5.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0748 3.0684 -3.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4847 4.7604 -3.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 4.1444 -3.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 5.5143 -1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6073 5.4672 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 5.6783 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 7.7721 -2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1713 7.8083 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1955 7.4602 -1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9816 8.8082 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 7.5297 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 5.9818 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 8.3842 1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4378 7.1243 0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8925 6.1359 3.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 5.7449 4.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 4.1600 2.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 2.3417 2.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 3.5355 3.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0195 1.4940 2.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1783 0.9574 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2391 1.0146 -1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 1.1056 -3.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8987 -1.5507 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -1.9107 -3.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3447 -3.0347 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2635 -2.6568 -2.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2725 -2.5028 0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6535 -1.5020 0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7154 -2.9250 2.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.8211 1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 -1.2214 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 1.2864 4.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 2.8060 5.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 2.9277 6.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6289 1.2698 6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 2.2420 5.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 0.6165 5.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 1.8028 8.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -0.4075 8.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 -2.0669 7.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 -0.9156 5.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 -0.8379 6.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3657 -2.9503 6.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 -3.8868 7.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0967 -4.4409 8.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 -5.3139 6.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 -6.3907 4.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 -4.7178 6.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 -4.9963 4.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 -7.2242 6.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 -8.2771 5.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 -7.5521 2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8396 -5.8257 3.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3645 -7.4735 3.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0925 -5.8501 4.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6946 -4.9807 2.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -6.6333 1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9052 -5.2649 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4284 -7.3867 3.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1794 -7.7109 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5911 -6.7334 2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4065 -4.1541 3.3197 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 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 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 40 46 1 0 46 47 1 0 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 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 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 68 70 1 0 46 33 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 25104 1 0 25105 1 0 26106 1 6 27107 1 0 27108 1 0 31109 1 0 33110 1 6 34111 1 0 35112 1 0 36113 1 0 37114 1 0 38115 1 0 39116 1 0 40117 1 1 44118 1 0 45119 1 0 46120 1 0 47121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 58133 1 0 59134 1 0 59135 1 0 60136 1 0 61137 1 0 62138 1 0 62139 1 0 63140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 66145 1 0 67146 1 0 67147 1 0 68148 1 6 69149 1 0 69150 1 0 69151 1 0 70152 1 0 M END