HMDB0114753 RDKit 3D LysoPA(22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 74 73 0 0 0 0 0 0 0 0999 V2000 -8.7633 0.8996 4.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8892 1.3090 3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6195 1.0549 2.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2389 -0.3903 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9506 -0.5264 1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1264 -0.0735 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9573 -0.8682 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5877 -2.2573 -0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3601 -2.8118 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 -2.2240 -1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1713 -0.8052 -1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 -0.5455 -3.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8657 -0.0327 -3.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7717 0.2887 -2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4442 1.7468 -2.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 2.2373 -3.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 1.4467 -3.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 1.7587 -2.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4895 0.8067 -1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 -0.6166 -1.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2291 -1.5579 -2.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -1.4802 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3784 -2.2109 -1.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 -0.6568 -0.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2901 -0.4886 0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5603 0.1071 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 -0.6671 -0.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5365 0.2940 1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9664 1.0765 2.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1513 1.1971 3.7138 P 0 0 0 0 0 5 0 0 0 0 0 0 8.5251 1.4183 5.0488 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 -0.2793 3.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2038 2.4726 3.3915 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7945 1.1234 5.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0300 -0.1774 4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5393 1.4487 5.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7185 0.7487 2.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0665 2.3978 3.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8629 1.3482 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8321 1.7292 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0155 -0.8015 3.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0143 -0.9521 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2392 0.1851 2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4818 -1.4953 1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4117 0.9796 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -0.3755 -1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8365 -2.7144 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4539 -2.7941 -1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2495 -3.9585 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4935 -2.8783 -2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0459 -0.2024 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3622 -0.3631 -1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 -0.7824 -4.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7137 0.1704 -4.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -0.0726 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 -0.2210 -3.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 2.4899 -2.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 3.3343 -3.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 0.3984 -3.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 1.9630 -4.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 2.7989 -2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 1.1488 -1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8907 -0.8478 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 -0.8844 -2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -1.4061 -3.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.5866 -2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8952 0.1281 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5560 -1.4630 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 1.1199 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6939 -0.1892 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4736 0.7242 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8040 -0.7142 1.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5445 -0.2902 4.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6579 2.3119 2.5248 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 2 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 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 21 66 1 0 25 67 1 0 25 68 1 0 26 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 32 73 1 0 33 74 1 0 M END