Mrv1652310031619572D 70 70 0 0 1 0 999 V2000 -12.8684 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 5.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1539 5.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4395 6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 7.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4395 7.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1513 7.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7250 7.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1513 8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7250 8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 8.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0105 8.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 9.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0105 9.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 10.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2961 10.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 10.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2961 10.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2948 11.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5816 11.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2948 12.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5816 12.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0092 12.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8671 12.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0092 13.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1526 14.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4382 15.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4382 15.0118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8671 13.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 13.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0421 17.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6296 17.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2796 17.9802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8671 17.2658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0421 18.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8671 18.6947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5816 13.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4382 13.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6296 16.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 17.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1046 17.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 18.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 20.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 19.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1526 19.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5816 20.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4546 20.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5816 15.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4546 15.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1526 13.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1526 16.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7237 14.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6296 19.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2796 19.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2796 16.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 19.4092 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.8671 20.1237 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.8671 15.8368 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.1526 15.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2171 17.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2171 18.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6921 18.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6921 17.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4546 17.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4546 19.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 33 31 1 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 35 30 1 0 0 0 0 37 36 1 0 0 0 0 39 36 1 0 0 0 0 39 38 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 41 40 1 0 0 0 0 42 34 2 0 0 0 0 43 35 2 0 0 0 0 44 36 1 0 0 0 0 45 37 1 0 0 0 0 38 46 1 6 0 0 0 55 31 1 0 0 0 0 55 34 1 0 0 0 0 56 32 1 0 0 0 0 33 57 1 1 0 0 0 57 35 1 0 0 0 0 58 40 1 0 0 0 0 41 59 1 6 0 0 0 39 60 1 6 0 0 0 61 47 1 0 0 0 0 61 48 1 0 0 0 0 61 49 2 0 0 0 0 61 58 1 0 0 0 0 62 50 1 0 0 0 0 62 51 1 0 0 0 0 62 52 2 0 0 0 0 62 59 1 0 0 0 0 63 53 1 0 0 0 0 63 54 2 0 0 0 0 63 56 1 0 0 0 0 63 60 1 0 0 0 0 33 64 1 1 0 0 0 65 36 1 0 0 0 0 66 37 1 0 0 0 0 38 67 1 1 0 0 0 39 68 1 1 0 0 0 69 40 1 0 0 0 0 41 70 1 1 0 0 0 M END > BMDB0010032 > bmdb > [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37?,38+,39+,40?,41+/m1/s1 > HKWJHKSHEWVOSS-WZTVIZHGSA-N > C41H81O19P3 > 971.001 > 970.458491382 > 13 > 144 > 103.96923527765787 > 0 > 8 > 0 > 0 > {[(1S,2S,3S)-3-({[(2R)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,5-trihydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid > 4.59 > 8.746923827333333 > -3.80 > 0 > 1 > -5 > 1.2072584645996338 > 0.6267671624744775 > -3.6679537745918793 > 302.57000000000005 > 232.31360000000012 > 42 > 0 > 1.54e-01 g/l > [(1S,2S,3S)-3-{[(2R)-2,3-bis(hexadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2,4,5-trihydroxy-6-(phosphonooxy)cyclohexyl]oxyphosphonic acid > 0 > BMDB0010032 > PIP2(16:0/16:0) $$$$