PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) Mrv1652309142118182D 57 56 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 5 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 0.4699 1.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1843 0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 0.7721 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2007 0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 1.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 0.3596 0.0000 C 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 -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 -12.4782 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1923 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9065 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6206 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3347 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0489 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7630 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -1.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9377 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6518 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1910 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9051 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6192 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4442 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1583 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8724 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6974 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4115 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1256 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9506 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6647 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3789 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0930 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8071 -1.1965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -17.5212 -0.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8071 -1.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 8 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 1 1 0 0 0 0 7 6 1 0 0 0 0 7 9 1 1 0 0 0 7 10 1 0 0 0 0 8 7 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 3 1 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 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 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 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 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 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 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 1 0 0 0 55 57 1 0 0 0 0 M CHG 2 5 -1 14 1 M END > HMDB0289745 > hmdb > [H][C@@](CO\C=C\CCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCC[C@H](C)O > InChI=1S/C46H82NO8P/c1-6-7-8-9-10-11-12-13-14-18-21-24-27-30-33-36-40-52-42-45(43-54-56(50,51)53-41-39-47(3,4)5)55-46(49)38-35-32-29-26-23-20-17-15-16-19-22-25-28-31-34-37-44(2)48/h13-14,16-17,19-20,25-26,28-29,36,40,44-45,48H,6-12,15,18,21-24,27,30-35,37-39,41-43H2,1-5H3/b14-13-,19-16-,20-17-,28-25-,29-26-,40-36+/t44-,45+/m0/s1 > ZHDILJOCYALJPM-CCTYUKNQSA-N > C46H82NO8P > 808.135 > 807.577805602 > 5 > 138 > 97.94792016324607 > 0 > 1 > 0 > 0 > (2-{[(2R)-2-{[(5Z,8Z,11Z,14Z,19S)-19-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}-3-[(1E,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium > 5.86 > 7.89970246986159 > -7.32 > 0 > 0 > 0 > 17.759137070540817 > 1.8552126152907746 > -1.5917939188002452 > 114.35000000000001 > 251.13910000000007 > 40 > 0 > 4.12e-05 g/l > (2-{[(2R)-2-{[(5Z,8Z,11Z,14Z,19S)-19-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}-3-[(1E,9Z)-octadeca-1,9-dien-1-yloxy]propyl phosphono]oxy}ethyl)trimethylazanium > 0 > HMDB0289745 > PC(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S)) $$$$