PI(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z)) Mrv1652309132110152D 68 68 0 0 1 0 999 V2000 -3.8021 0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3824 0.3590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6679 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 -0.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 0.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2454 0.7696 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 0.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1678 1.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6563 1.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 -0.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3257 0.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 2.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8961 2.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3257 2.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8974 0.3577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6117 0.7702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6117 1.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8974 2.0073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1831 1.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1831 0.7702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5122 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 1.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2263 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9404 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6545 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3686 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1936 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9078 0.3564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9078 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6219 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3360 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0501 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8751 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5892 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3033 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1283 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8424 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5566 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2707 0.3564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.2707 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.9848 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6990 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5240 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2381 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.9522 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5096 -1.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2237 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9378 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6519 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3661 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0802 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7943 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5084 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3334 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0475 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7616 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5866 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3008 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0149 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8399 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5540 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2681 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0931 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8072 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5213 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 3 5 1 1 0 0 0 3 6 1 0 0 0 0 4 3 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 4 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 12 1 1 0 0 0 18 19 1 0 0 0 0 18 13 1 6 0 0 0 19 20 1 0 0 0 0 19 16 1 1 0 0 0 20 21 1 0 0 0 0 20 15 1 6 0 0 0 21 22 1 0 0 0 0 21 14 1 6 0 0 0 22 7 1 6 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 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 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 6 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 M END > HMDB0277656 > hmdb > [H][C@@](COC(=O)CCC\C=C/[C@H](O)\C=C\C=C/C\C=C/C=C/[C@H](O)C\C=C/CC)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C51H79O15P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31-38-45(55)65-43(40-64-67(61,62)66-51-49(59)47(57)46(56)48(58)50(51)60)39-63-44(54)37-32-26-30-36-42(53)35-29-24-21-19-20-23-28-34-41(52)33-27-6-4-2/h5-7,9-10,12-13,15-16,20-21,23-24,27-30,34-36,41-43,46-53,56-60H,3-4,8,11,14,17-19,22,25-26,31-33,37-40H2,1-2H3,(H,61,62)/b7-5-,10-9-,13-12-,16-15-,23-20-,24-21-,27-6-,34-28+,35-29+,36-30-/t41-,42-,43-,46-,47-,48+,49-,50-,51-/m1/s1 > GWUYWIYSHOSHMH-JEMGMFHNSA-N > C51H79O15P > 963.152 > 962.515658842 > 11 > 146 > 104.6356321036161 > 0 > 8 > 0 > 0 > [(2R)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 6.00 > 7.514811299333333 > -5.68 > 0 > 1 > -1 > 12.36053053171553 > 1.8334890386226697 > -1.4357617618275893 > 249.96999999999994 > 270.62080000000003 > 38 > 0 > 2.03e-03 g/l > (2R)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy([(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > HMDB0277656 > PI(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z)) $$$$