HMDB0013528 RDKit 3D PGP(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 143142 0 0 0 0 0 0 0 0999 V2000 7.3364 -5.3367 -3.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3956 -4.1409 -3.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0753 -4.5164 -1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1948 -3.4096 -0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8483 -2.8517 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 -3.8767 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 -3.8667 1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 -2.9244 2.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5482 -1.7625 2.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 -0.5335 2.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -0.1963 2.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5072 0.5487 4.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0432 1.7574 4.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 2.5517 2.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 3.8438 2.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 4.9813 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2599 5.0577 3.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5615 5.7481 1.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8499 5.0883 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 5.8622 -0.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 5.4091 -1.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 4.0116 -2.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 3.3362 -2.7726 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2264 3.3269 -1.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3721 1.9388 -2.2290 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5835 1.8841 -3.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 0.5710 -3.6067 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9376 0.3610 -4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 1.4191 -4.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3221 -0.9021 -5.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -1.9152 -4.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4041 -1.6036 -3.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4636 -0.6161 -2.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9406 -0.4558 -2.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1329 0.4843 -1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4933 -0.0608 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7062 0.9482 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 0.4030 2.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7024 0.1265 2.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1911 -1.0709 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 -2.2393 2.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9354 -3.3582 1.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -3.8373 1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -4.9510 0.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 -5.4561 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2068 -4.3389 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5203 1.0676 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 1.1804 -0.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 0.1791 1.1356 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7969 -0.6905 0.9967 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7501 -0.8889 1.2888 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 1.0369 2.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6803 0.4568 3.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 1.2100 4.7164 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4825 1.1288 5.3402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 2.6637 4.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 2.8208 3.9046 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6331 4.4861 3.7464 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3904 5.2851 4.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 4.7966 2.1414 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8565 4.9882 4.7973 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 -5.3282 -4.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4134 -5.2390 -4.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2701 -6.2832 -3.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3268 -3.8919 -2.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8621 -3.2941 -3.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1169 -4.8277 -2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6094 -5.4148 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 -2.5761 -1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7155 -3.8260 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 -1.9837 0.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3356 -2.5445 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 -4.7708 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9095 -4.7889 1.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 -3.5602 3.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7268 -2.7564 3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6619 -1.8151 2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 0.3297 2.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 0.2766 1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9993 -1.1092 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8142 0.0315 4.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9655 2.2302 5.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8797 2.0533 1.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 2.6153 2.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 3.7756 2.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3245 5.8927 2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 4.1916 3.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 5.8177 3.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 6.8203 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 5.6864 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 5.1177 0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 4.0552 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 5.8249 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 6.9191 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 6.0719 -2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 5.6956 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5425 1.6114 -2.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4048 2.5531 -3.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5038 2.2237 -2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3701 -1.4343 -5.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 -0.6440 -6.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 -2.7723 -5.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4724 -2.4382 -3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8288 -2.5632 -3.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1771 -1.3424 -4.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9279 -1.1185 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9746 0.3312 -2.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3462 -1.4534 -2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4237 -0.0017 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7417 1.4730 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2112 0.5612 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4384 -0.3144 0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0207 -1.0065 0.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7948 1.1114 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2695 1.9312 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1779 1.2376 3.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7544 -0.3909 2.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0812 0.9903 2.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1071 -1.2130 2.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9747 -2.0883 3.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -2.6964 3.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -4.2118 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3551 -2.9918 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9962 -4.0996 2.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 -2.9649 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 -5.7921 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9067 -4.6619 -0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 -5.9531 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 -6.2381 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -3.7807 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -3.6513 0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -4.7164 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4159 1.4120 -0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 0.0067 -1.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4388 -1.7074 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 0.5941 2.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 -0.5953 3.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 0.7108 5.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 1.1892 4.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 3.0966 3.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 3.2224 5.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 3.9808 1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 5.9387 5.0444 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 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 2 0 28 30 1 0 30 31 1 0 31 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 53136 1 0 53137 1 0 54138 1 1 55139 1 0 56140 1 0 56141 1 0 60142 1 0 61143 1 0 M END