Mrv1652309142117512D 56 56 0 0 1 0 999 V2000 -8.5457 -6.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7830 -6.2999 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0975 -5.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4684 -7.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0203 -5.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3665 -6.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6039 -6.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9501 -6.6774 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.4469 -6.0236 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.4534 -7.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2964 -7.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -7.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 -8.5016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9889 -8.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 -7.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 -7.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 -7.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 -7.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 -7.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -7.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8245 -6.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 -6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -6.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0037 -6.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6574 -6.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4201 -6.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0738 -7.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8365 -6.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4902 -7.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2529 -7.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9067 -7.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 -7.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3231 -7.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8606 -9.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6233 -9.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 -9.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7322 -10.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4949 -10.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6039 -11.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9501 -12.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0591 -12.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4615 -13.4739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6501 -13.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8179 -14.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6356 -14.1090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2045 -14.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7847 -13.2976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5288 -12.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5922 -12.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3363 -11.7623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3998 -10.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0170 -12.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7610 -11.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4417 -12.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1857 -11.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8664 -12.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 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 11 12 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 16 15 1 4 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 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 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 1 0 0 0 0 32 33 1 0 0 0 0 13 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 41 40 1 6 0 0 0 41 42 1 0 0 0 0 42 43 1 1 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 45 47 1 0 0 0 0 41 47 1 0 0 0 0 47 48 1 6 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 1 0 0 0 50 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 M CHG 2 2 1 9 -1 M END > HMDB0289573 > hmdb > CCCCCCCCCCCCCCCCC=COC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)C\C=C/C[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@H](O)CCCCC > InChI=1S/C44H82NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-26-33-52-36-39(37-54-56(50,51)53-34-32-45(3,4)5)55-44(49)29-25-24-28-40-41(43(48)35-42(40)47)31-30-38(46)27-23-9-7-2/h24-26,30-31,33,38-43,46-48H,6-23,27-29,32,34-37H2,1-5H3/b25-24-,31-30+,33-26?/t38-,39-,40+,41-,42+,43-/m1/s1 > HRPTWZLYJIKFRO-YYUIPFNQSA-N > C44H82NO10P > 816.111 > 815.567634842 > 7 > 138 > 98.30537815942219 > 0 > 3 > 0 > 0 > (2-{[(2R)-2-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-3-(octadec-1-en-1-yloxy)propyl phosphono]oxy}ethyl)trimethylazanium > 4.20 > 4.861042659861591 > -7.05 > 0 > 1 > 0 > 14.513964216735108 > 1.855200802917973 > -1.6261177978647017 > 154.81 > 239.59070000000008 > 37 > 0 > 7.80e-05 g/l > (2-{[(2R)-2-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-3-(octadec-1-en-1-yloxy)propyl phosphono]oxy}ethyl)trimethylazanium > 0 > HMDB0289573 > PC(P-18:0/5-iso PGF2VI) $$$$