HMDB0280247 RDKit 3D PIP(22:2(13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 161161 0 0 0 0 0 0 0 0999 V2000 -2.6150 -3.3765 -5.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0229 -2.7823 -5.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 -1.5094 -6.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 -0.3284 -5.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -0.1512 -4.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3108 0.4161 -4.5536 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1538 -0.4389 -5.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3933 1.8259 -4.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4818 2.7340 -4.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5418 4.1097 -5.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6427 4.9775 -4.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4803 4.6163 -3.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 5.3908 -2.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 6.1971 -2.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3885 6.4214 -2.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4412 7.2304 -2.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 7.5257 -3.2687 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5368 7.8665 -4.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 6.5876 -3.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7092 6.0692 -3.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 6.2885 -5.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6341 5.0435 -6.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 4.1492 -6.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 3.4768 -4.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5682 3.9669 -3.8406 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 2.2553 -4.4082 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 1.7207 -3.1396 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8541 1.2073 -2.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4347 0.0211 -2.9133 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4235 -0.5925 -2.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7666 -0.0855 -1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 -1.8516 -2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -2.6287 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2928 -2.8558 -0.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4753 -3.5758 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4984 -2.9706 1.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 -3.6347 3.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1348 -3.4072 3.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -1.9299 3.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 -1.4238 4.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4392 -1.8009 5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 -1.4195 6.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 0.0065 6.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 0.8297 7.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 0.5349 9.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0781 1.4934 9.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 1.2620 9.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2701 -0.1040 9.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 -0.1716 8.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -1.4955 8.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -1.4285 7.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 -1.1572 6.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 0.5043 -3.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5559 -0.0242 -2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4601 -1.3768 -2.1455 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7385 -0.9592 -2.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 -2.5621 -3.1271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6322 -2.0160 -0.6078 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 -3.3831 -0.7002 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0464 -4.2744 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5282 -5.1769 -1.0418 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4274 -5.0702 1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3455 -4.3230 2.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -5.7310 0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 -7.0226 0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7105 -4.9886 0.0262 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0124 -5.0717 0.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9092 -5.9791 -0.6351 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.1613 -7.3576 -0.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -6.2100 -2.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3587 -5.1768 -0.9602 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3492 -3.5434 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5239 -2.8067 1.0587 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 -2.5253 -5.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3777 -4.0087 -6.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5311 -4.0027 -4.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5901 -3.5156 -6.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4717 -2.8542 -4.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6854 -1.5607 -7.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3358 0.5181 -6.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2081 0.4568 -3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9777 -1.1289 -4.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5929 0.4093 -3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7511 -1.0072 -5.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1964 2.1945 -5.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6987 2.3514 -4.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3749 4.4813 -5.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7251 6.0278 -4.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4403 3.5466 -3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 4.7452 -4.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4085 5.2680 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 6.7585 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2336 5.9588 -3.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6273 7.6954 -1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 8.5390 -2.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 8.7982 -4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 6.2666 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4907 5.3580 -3.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 6.7913 -5.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 6.9941 -5.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 4.4611 -6.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 5.2985 -7.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 3.3650 -6.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 4.8187 -6.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0984 2.4101 -2.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4888 0.9975 -1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6487 1.9797 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 -1.5979 -3.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -2.4605 -3.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2855 -2.0137 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 -3.6093 -1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -3.3796 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.8884 -0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -4.6429 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.5607 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5131 -1.8932 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5174 -3.2628 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 -3.2095 3.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6069 -4.7383 3.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 -3.9258 3.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 -3.8353 4.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 -1.5540 4.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 -1.5286 2.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6557 -0.2991 4.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8448 -1.7885 3.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 -1.2991 6.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 -2.9091 5.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -1.7805 7.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4019 -2.0614 6.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2784 0.4165 5.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0449 1.8944 7.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9493 -0.5086 9.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 0.8389 10.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 2.5718 9.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 2.1343 9.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1976 -0.2538 10.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0093 -0.8684 9.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 0.6307 8.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3737 0.0282 7.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 -1.6457 9.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 -2.3011 8.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2654 -2.3322 7.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3002 -0.5544 7.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8536 -1.3499 5.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 -1.8268 6.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7076 -0.0901 6.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2196 0.9342 -3.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -0.1812 -4.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 -2.6260 -2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -3.6241 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 -3.6971 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -5.9596 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3363 -5.8837 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 -4.0314 2.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2232 -5.7876 1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 -6.9947 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6524 -5.4690 -0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -5.6388 -2.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2137 -4.5338 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0758 -3.1020 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -3.3668 1.7721 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 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 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 27 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 67 68 1 0 68 69 2 0 68 70 1 0 68 71 1 0 66 72 1 0 72 73 1 0 72 59 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 1 7 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 1 18 96 1 0 19 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 23103 1 0 23104 1 0 27105 1 1 28106 1 0 28107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 57149 1 0 59150 1 6 60151 1 0 61152 1 0 62153 1 0 63154 1 0 64155 1 0 65156 1 0 66157 1 6 70158 1 0 71159 1 0 72160 1 0 73161 1 0 M END