Mrv1652310031619582D 72 72 0 0 1 0 999 V2000 -14.2277 4.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5136 5.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1440 5.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3914 5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 6.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3078 6.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 7.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5552 6.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 7.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4716 7.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 8.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7190 8.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2696 9.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6354 8.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9386 9.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8828 9.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7991 10.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 10.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0465 10.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9629 11.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 11.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2103 11.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4404 11.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1267 12.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1093 12.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3741 12.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0257 13.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2905 13.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6947 13.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5379 13.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6111 14.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6180 15.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7818 17.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8654 16.2547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4542 14.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2801 14.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2378 18.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 19.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3965 19.3944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0585 18.6418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0929 19.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9137 20.0634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1232 15.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0327 14.6132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8998 17.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9342 19.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2172 19.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 19.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7058 21.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 20.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0999 21.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4378 21.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2861 22.1540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9560 16.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8654 16.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7016 15.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4508 17.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1964 15.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6102 20.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2517 20.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5413 17.9729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7894 20.5652 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.7689 21.4850 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.2034 17.2203 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.5344 16.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4170 18.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2722 19.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7345 20.1470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8793 18.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5757 19.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 20.7324 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 17 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 22 19 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 31 29 1 0 0 0 0 32 30 1 0 0 0 0 35 33 1 0 0 0 0 35 34 1 0 0 0 0 36 31 1 0 0 0 0 37 32 1 0 0 0 0 39 38 1 0 0 0 0 41 38 1 0 0 0 0 41 40 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 43 42 1 0 0 0 0 44 36 2 0 0 0 0 45 37 2 0 0 0 0 46 38 1 0 0 0 0 47 39 1 0 0 0 0 40 48 1 6 0 0 0 57 33 1 0 0 0 0 57 36 1 0 0 0 0 58 34 1 0 0 0 0 35 59 1 1 0 0 0 59 37 1 0 0 0 0 60 42 1 0 0 0 0 43 61 1 6 0 0 0 41 62 1 6 0 0 0 63 49 1 0 0 0 0 63 50 1 0 0 0 0 63 51 2 0 0 0 0 63 60 1 0 0 0 0 64 52 1 0 0 0 0 64 53 1 0 0 0 0 64 54 2 0 0 0 0 64 61 1 0 0 0 0 65 55 1 0 0 0 0 65 56 2 0 0 0 0 65 58 1 0 0 0 0 65 62 1 0 0 0 0 35 66 1 1 0 0 0 67 38 1 0 0 0 0 68 39 1 0 0 0 0 40 69 1 1 0 0 0 41 70 1 1 0 0 0 71 42 1 0 0 0 0 43 72 1 1 0 0 0 M END > BMDB0010059 > bmdb > [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(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/C43H85O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h35,38-43,46-48H,3-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/t35-,38?,39?,40+,41+,42?,43+/m1/s1 > CIKAEWLGOIVQBP-AOTOSMENSA-N > C43H85O19P3 > 999.055 > 998.489791511 > 13 > 150 > 108.22576331861555 > 0 > 8 > 0 > 0 > {[(1S,2S,3S)-3-({[(2R)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,5-trihydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid > 5.01 > 9.636061157333332 > -4.27 > 0 > 1 > -5 > 1.2072584645996338 > 0.6267671624744775 > -3.6679537745918793 > 302.57000000000005 > 241.51560000000012 > 44 > 0 > 5.39e-02 g/l > [(1S,2S,3S)-3-{[(2R)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2,4,5-trihydroxy-6-(phosphonooxy)cyclohexyl]oxyphosphonic acid > 0 > BMDB0010059 > PIP2(18:0/16:0) $$$$