HMDB0008129 RDKit 3D PC(18:1(9Z)/P-18:1(9Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -1.4990 7.2328 -0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1124 6.8759 -1.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5274 7.3787 -1.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 7.0612 -3.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2367 5.5877 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9942 4.8111 -2.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0727 3.3440 -2.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 2.6969 -2.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 1.2654 -3.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2621 0.3303 -2.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 0.7364 -1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2847 0.1933 0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 -1.2378 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6466 -2.2768 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5361 -3.6879 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3411 -4.1443 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3662 -3.5413 2.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8327 -4.0329 3.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1606 -5.2408 3.5345 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 -5.2932 3.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 -6.7079 3.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 -6.7744 2.5467 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0859 -6.6065 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9115 -6.4067 0.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4527 -6.6676 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 -6.6979 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -6.7558 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4896 -5.6613 -1.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -5.1198 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 -4.0280 -1.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9524 -3.3902 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1029 -2.7540 0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1441 -1.4750 1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0281 -0.4794 0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 0.6167 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0912 1.6313 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3697 2.7291 -1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 3.5339 -0.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 4.6347 -1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 4.1131 -2.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 5.2478 -3.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9598 -4.3552 3.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -4.2925 3.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 -3.2645 4.4574 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5045 -3.1399 5.7748 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 -3.9774 4.8179 O 0 0 0 0 0 1 0 0 0 0 0 0 1.4644 -1.7497 3.8075 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 -1.0767 3.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 0.3198 3.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 1.2072 3.8956 N 0 0 0 0 0 4 0 0 0 0 0 0 1.2445 0.8611 5.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 1.2956 3.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5849 2.5422 3.8148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 6.6729 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4424 6.8874 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 8.3283 -0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0834 5.7678 -1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5114 7.2996 -2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0964 6.8871 -1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 8.4815 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5461 7.5730 -3.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1935 7.4785 -3.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 5.2040 -3.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6968 5.5214 -4.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5852 4.9557 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0322 5.2045 -2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5857 2.8620 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6975 3.1696 -3.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0013 3.0619 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2988 3.1425 -3.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2246 0.8482 -4.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -0.7117 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4417 1.8287 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5211 0.3509 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0324 0.8321 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4121 0.4075 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -1.3934 1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0635 -1.4763 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 -2.3023 -1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6086 -2.0692 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7995 -4.3409 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 -3.8687 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1675 -5.2783 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4417 -4.1600 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9336 -2.5948 2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 -3.4956 4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 -4.9653 2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2071 -6.9865 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -7.3963 2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -5.8853 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8599 -7.6548 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -7.4912 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7488 -5.7376 -1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0743 -7.7486 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -6.9385 -2.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -5.9004 -2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -4.7798 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8329 -5.8377 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5552 -4.6040 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8120 -4.5100 -1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 -3.2491 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5088 -4.2541 0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7200 -2.7151 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3630 -3.3389 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4649 -1.0728 1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -0.8546 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 0.0070 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5616 1.0793 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5626 0.0809 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 2.0620 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7459 1.0998 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7548 2.2635 -2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0956 3.4071 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0948 4.0289 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6881 2.8957 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4369 5.4179 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 5.1397 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1175 3.4141 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 3.5678 -3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 6.2084 -2.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0968 5.0811 -3.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 5.3466 -4.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9557 -4.7744 4.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 -3.3702 3.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -1.6476 2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 -1.0744 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 0.2610 2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6234 0.7198 2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 1.5084 5.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 1.1936 5.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 -0.1790 5.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 0.3620 2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 2.1585 2.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 1.4483 4.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8305 3.1067 4.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9969 3.0900 2.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 2.4325 3.7844 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 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 20 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 18 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 51129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 53137 1 0 M CHG 2 46 -1 50 1 M END