CDP-DG(14:1(11Z)/15:1(11Z)) Mrv1652306201616502D 62 63 0 0 1 0 999 V2000 17.4448 -4.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4836 -4.5706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5224 -4.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4059 -4.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5611 -4.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7335 -5.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3204 -5.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4766 -4.2072 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.4766 -5.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8025 -4.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4766 -3.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8729 -4.1777 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.8729 -5.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1989 -4.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8729 -3.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1586 -6.7485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8302 -6.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7367 -5.8702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.0547 -5.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1055 -5.8607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.8353 -7.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1525 -7.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1014 -5.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4116 -3.3822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4116 -4.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6971 -2.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6971 -4.6197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9827 -3.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9827 -4.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6972 -2.1447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1116 -4.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8467 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8467 -3.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1326 -4.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4184 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7043 -4.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9902 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2760 -4.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8478 -4.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4195 -4.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7053 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -4.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4521 -4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0191 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0191 -6.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3050 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5908 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8767 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1626 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4485 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7343 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0202 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5919 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8778 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3386 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6245 -6.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9104 -5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 8 4 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 12 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 18 19 1 0 0 0 0 18 17 1 0 0 0 0 18 27 1 1 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 20 23 1 1 0 0 0 21 17 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 31 2 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 32 5 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 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 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 47 6 1 0 0 0 0 47 48 2 0 0 0 0 47 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 2 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 > YMDB12162 > YMDB > [H][C@@](COC(=O)CCCCCCCCC\C=C/CC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCC > InChI=1S/C41H71N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37(46)57-33(30-54-36(45)26-24-22-20-18-16-14-12-10-8-6-4-2)31-55-60(50,51)59-61(52,53)56-32-34-38(47)39(48)40(58-34)44-29-28-35(42)43-41(44)49/h6-9,28-29,33-34,38-40,47-48H,3-5,10-27,30-32H2,1-2H3,(H,50,51)(H,52,53)(H2,42,43,49)/b8-6-,9-7-/t33-,34-,38+,39?,40-/m1/s1 > IAOWTXVKAMIVKF-XIPHTVIXSA-N > C41H71N3O15P2 > 907.973 > 907.436042594 > 12 > 132 > 95.61679938151191 > 0 > 5 > 0 > 0 > {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-2-[(11Z)-pentadec-11-enoyloxy]-3-[(11Z)-tetradec-11-enoyloxy]propoxy]phosphoryl}oxy)phosphinic acid > 5.20 > 7.499200470333335 > -4.78 > 0 > 2 > -2 > 3.2716255536258676 > 1.8631673662376511 > -0.03198989821723941 > 263.27 > 228.64070000000004 > 37 > 0 > 1.52e-02 g/l > [(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([hydroxy((2R)-2-[(11Z)-pentadec-11-enoyloxy]-3-[(11Z)-tetradec-11-enoyloxy]propoxy)phosphoryl]oxy)phosphinic acid > 0 > YMDB12162 > CDP-DG(14:1(11Z)/15:1(11Z)) $$$$