PGP(14:1(9Z)/20:1(13Z)) Mrv1652306231616172D 57 56 0 0 1 0 999 V2000 2.7850 0.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3818 0.3608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0920 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8022 0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9714 -0.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7924 -0.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6715 0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9613 0.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 0.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2174 0.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9276 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 0.6481 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0493 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8811 0.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 0.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4301 0.5557 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4301 1.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 0.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 -0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 1.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2264 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9405 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6546 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3688 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0829 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7971 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5112 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2254 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0504 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7645 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4786 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1928 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9069 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5362 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5362 -1.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2504 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9645 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6787 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3928 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1069 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8210 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5352 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2493 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9635 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6776 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3918 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1059 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9309 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6450 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3592 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0733 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7875 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5016 -0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2157 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 5 1 1 0 0 0 3 4 1 0 0 0 0 4 22 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 11 16 1 0 0 0 0 11 1 1 6 0 0 0 12 11 1 0 0 0 0 12 17 1 0 0 0 0 13 9 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 8 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 2 0 0 0 0 22 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 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 37 6 1 0 0 0 0 37 38 2 0 0 0 0 37 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 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 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 M END > YMDB14258 > YMDB > [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCC > InChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-14-12-10-8-6-4-2/h10,12-13,15,37-38,41H,3-9,11,14,16-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b12-10-,15-13-/t37-,38+/m0/s1 > VCSQNGREWIGHNT-GUVOHHCRSA-N > C40H76O13P2 > 826.983 > 826.476116503 > 8 > 131 > 94.28003147183128 > 0 > 4 > 0 > 0 > [(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid > 7.06 > 10.978779504666665 > -6.00 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.34999999999997 > 217.61700000000002 > 42 > 0 > 8.19e-04 g/l > (2S)-2-hydroxy-3-{[hydroxy((2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propoxy)phosphoryl]oxy}propoxyphosphonic acid > 0 > YMDB14258 > PGP(14:1(9Z)/20:1(13Z)) $$$$