PGP(18:2(9Z,11Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) Mrv1652309132100182D 62 61 0 0 1 0 999 V2000 -3.8020 0.3607 0.0000 O 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 -0.2447 0.7720 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6571 1.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 0.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 1.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1844 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8989 1.1846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6134 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7177 0.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 0.8108 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4156 1.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5905 0.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2885 1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 1.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4864 1.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 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 -4.5121 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5121 1.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2262 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9403 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6544 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3686 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0827 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7968 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5109 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2250 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0500 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7641 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5891 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3032 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0173 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7315 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4456 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1597 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8738 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -1.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9377 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6518 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1910 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9051 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6192 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4442 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1583 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8724 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6974 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4115 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1256 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9506 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6647 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3789 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0930 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8071 -0.7679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -17.5212 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8071 -1.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 8 16 1 0 0 0 0 8 15 1 6 0 0 0 9 8 1 0 0 0 0 9 14 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 17 1 1 0 0 0 0 18 17 1 0 0 0 0 18 20 1 1 0 0 0 18 21 1 0 0 0 0 19 18 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 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 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 1 0 0 0 60 62 1 0 0 0 0 M END > HMDB0272819 > hmdb > [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCC[C@H](C)O > InChI=1S/C44H76O14P2/c1-3-4-5-6-7-8-9-10-12-16-19-22-25-28-31-34-43(47)54-38-42(39-57-60(52,53)56-37-41(46)36-55-59(49,50)51)58-44(48)35-32-29-26-23-20-17-14-11-13-15-18-21-24-27-30-33-40(2)45/h8-10,12-15,17,21,23-24,26,40-42,45-46H,3-7,11,16,18-20,22,25,27-39H2,1-2H3,(H,52,53)(H2,49,50,51)/b9-8-,12-10-,15-13-,17-14-,24-21-,26-23-/t40-,41-,42+/m0/s1 > MNVIUJBIBRQUIZ-HXWZPBOWSA-N > C44H76O14P2 > 891.026 > 890.471031123 > 9 > 136 > 98.41049468949004 > 0 > 5 > 0 > 0 > [(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z,8Z,11Z,14Z,19S)-19-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}-3-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid > 6.72 > 9.844695280999998 > -6.02 > 0 > 0 > -3 > 2.0403074321703643 > 1.35526858062009 > -1.5924409627271192 > 215.57999999999998 > 242.23390000000006 > 42 > 0 > 8.52e-04 g/l > (2S)-2-hydroxy-3-{[hydroxy((2R)-2-{[(5Z,8Z,11Z,14Z,19S)-19-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}-3-[(9Z,11Z)-octadeca-9,11-dienoyloxy]propoxy)phosphoryl]oxy}propoxyphosphonic acid > 0 > HMDB0272819 > PGP(18:2(9Z,11Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) $$$$