Mrv2304 09292316022D 71 66 0 0 1 0 999 V2000 -0.8213 4.5093 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 -6.5370 3.6843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8226 4.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1081 3.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3936 4.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 3.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9647 4.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9647 4.9218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 3.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5358 4.0968 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2502 2.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 3.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 4.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 4.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1081 4.1531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1081 4.9781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8226 3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 4.1531 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8226 2.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 -1.2656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4269 -1.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 -0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 -0.0281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1414 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2848 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2848 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9993 -2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9993 -3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2848 -4.1531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2848 -4.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 -3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 -4.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 -4.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7124 -3.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 -4.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 -1.2656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4600 -1.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 -0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -0.0281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7455 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3166 -0.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3166 -1.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 -2.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8877 -2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8877 -3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 -4.1531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6021 -4.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3166 -3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -4.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 -3.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -4.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1745 -3.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 -4.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 31 30 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 39 38 1 0 0 0 0 39 40 1 1 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 2 0 0 0 0 47 48 1 0 0 0 0 49 48 1 0 0 0 0 49 50 1 6 0 0 0 49 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 56 55 1 0 0 0 0 56 57 1 6 0 0 0 56 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 64 63 1 0 0 0 0 64 65 1 1 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 71 2 0 0 0 0 M CHG 3 1 2 10 -1 20 -1 M END > DBSALT003469 > drugbank > [Mg++].NCCCC[C@H](N)C([O-])=O.NCCCC[C@H](N)C([O-])=O.CC[C@H](O)\C=C\C=C/C[C@H](O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O.CC[C@H](O)\C=C\C=C/C[C@H](O)\C=C\C=C\C=C/[C@H](O)CCCC(O)=O > InChI=1S/2C20H30O5.2C6H14N2O2.Mg/c2*1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25;2*7-4-2-1-3-5(8)6(9)10;/h2*3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25);2*5H,1-4,7-8H2,(H,9,10);/q;;;;+2/p-2/b2*4-3+,9-5-,11-8+,12-6+,13-7-;;;/t2*17-,18+,19-;2*5-;/m0000./s1 > SDQHYEFWEQOSBL-DXJCSENFSA-L > C52H86MgN4O14 > 1015.579 > 1014.59909517 > 5 > 157 > 0.10458273852344821 > 40.11858060378596 > 0 > 4 > 0 > 0 > magnesium(2+) bis((5R,6Z,8E,10E,12S,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid) bis((2S)-2,6-diaminohexanoate) > 2.5328159533333334 > 0 > 2 > 0 > 2 > 17.606923475356155 > 4.6463452057547805 > -1.1142068120274042 > 97.99000000000001 > 105.61710000000001 > 36 > 0 > magnesium(2+) bis((5R,6Z,8E,10E,12S,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid) bis(L-lysinate) > 0 > DBSALT003469 > TP-317 > DB13105 > Resolvin E1 > AH6WA47YR3 $$$$