PGP(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/16:0) Mrv1652309122123272D 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 -7.4794 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1936 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9077 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9077 -0.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6218 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4468 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1609 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9859 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7000 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4141 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2391 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9532 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6673 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4923 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2065 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9206 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7456 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4597 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1738 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 -7.0801 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5083 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2225 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9366 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6507 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3648 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0789 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7930 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5071 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2212 -0.3549 0.0000 C 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 46 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 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 29 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 2 0 0 0 0 37 38 1 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 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 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 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 0 0 0 0 61 62 1 0 0 0 0 M END > HMDB0272371 > hmdb > [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C=C/CC(O)\C=C/C=C\C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C44H76O14P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-32-40(45)33-29-27-31-34-43(47)54-38-42(39-57-60(52,53)56-37-41(46)36-55-59(49,50)51)58-44(48)35-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,27-29,32,40-42,45-46H,3-4,6,8-10,12,14-16,18,20-22,24,26,30-31,33-39H2,1-2H3,(H,52,53)(H2,49,50,51)/b7-5-,13-11-,19-17-,25-23-,29-27-,32-28-/t40?,41-,42+/m0/s1 > UKPXKNIDIHKGJC-TZOGEIMOSA-N > C44H76O14P2 > 891.026 > 890.471031123 > 9 > 136 > 97.40868866119126 > 0 > 5 > 0 > 0 > [(2S)-3-({[(2R)-2-(hexadecanoyloxy)-3-{[(4Z,8Z,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid > 6.81 > 10.078556471 > -6.07 > 0 > 0 > -3 > 2.040303598852567 > 1.355253855949183 > -1.609179407807293 > 215.57999999999998 > 242.00290000000007 > 42 > 0 > 7.63e-04 g/l > (2S)-3-{[(2R)-2-(hexadecanoyloxy)-3-{[(4Z,8Z,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoyl]oxy}propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid > 0 > HMDB0272371 > PGP(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/16:0) $$$$