Mrv1652310031619542D 68 68 0 0 1 0 999 V2000 -13.0895 9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 9.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3750 9.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3750 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6605 7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 6.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6605 6.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 6.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9461 6.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9461 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 5.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2316 5.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 4.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2316 4.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5171 4.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 4.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5171 3.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 3.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8026 2.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0869 2.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8026 2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0869 2.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0882 1.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 1.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0882 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3737 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5158 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3737 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 -1.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9448 -2.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9448 -2.1217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5158 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6592 -0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 -5.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3408 -5.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3408 -4.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1033 -5.0901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5158 -5.8046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5158 -4.3757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8013 -0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9448 -0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5783 -5.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 -6.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 -3.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 -5.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 -6.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 -7.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 -7.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8013 -2.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 -2.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 -0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 -3.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6592 -1.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1033 -6.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1033 -3.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5158 -7.2336 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.5158 -2.9467 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 -2.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1658 -5.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 -6.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 -3.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6908 -5.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 -5.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6908 -4.3757 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 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 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 40 38 1 0 0 0 0 42 39 1 0 0 0 0 42 41 1 0 0 0 0 43 40 1 0 0 0 0 43 41 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 48 40 1 0 0 0 0 41 49 1 6 0 0 0 55 33 1 0 0 0 0 55 36 1 0 0 0 0 56 34 1 0 0 0 0 35 57 1 1 0 0 0 57 37 1 0 0 0 0 42 58 1 1 0 0 0 43 59 1 6 0 0 0 60 50 1 0 0 0 0 60 51 1 0 0 0 0 60 52 2 0 0 0 0 60 58 1 0 0 0 0 61 53 1 0 0 0 0 61 54 2 0 0 0 0 61 56 1 0 0 0 0 61 59 1 0 0 0 0 35 62 1 1 0 0 0 63 38 1 0 0 0 0 64 39 1 0 0 0 0 65 40 1 0 0 0 0 41 66 1 1 0 0 0 42 67 1 1 0 0 0 43 68 1 1 0 0 0 M END > BMDB0009923 > bmdb > [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C43H84O16P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)57-35(33-55-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-56-61(53,54)59-43-40(48)38(46)39(47)42(41(43)49)58-60(50,51)52/h35,38-43,46-49H,3-34H2,1-2H3,(H,53,54)(H2,50,51,52)/t35-,38?,39?,40?,41-,42-,43+/m1/s1 > WRYRQEZJZJDDMR-ODUFBJAGSA-N > C43H84O16P2 > 919.077 > 918.523460621 > 11 > 145 > 102.81945972199048 > 0 > 7 > 0 > 0 > {[(1R,2R,3S)-3-({[(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid > 6.03 > 9.759627188666665 > -5.10 > 0 > 1 > -3 > 1.9166523982543264 > 1.0756803498311691 > -3.6477611462617663 > 256.03999999999996 > 230.6427000000001 > 42 > 0 > 7.34e-03 g/l > [(1R,2R,3S)-3-{[(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2,4,5,6-tetrahydroxycyclohexyl]oxyphosphonic acid > 0 > BMDB0009923 > PIP(16:0/18:0) $$$$