PA(22:0/22:0) Mrv1652303302022342D 57 56 0 0 1 0 999 V2000 -0.1691 0.3607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8792 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 0.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 -0.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 -0.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5412 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 0.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 0.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 0.6480 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9002 0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0137 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7278 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4419 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8701 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5843 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2984 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0125 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7266 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4407 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1549 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8690 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5831 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2972 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0113 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7254 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4395 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1537 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8678 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5819 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2960 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 -1.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8941 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3223 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0364 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7505 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4646 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1788 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8929 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6070 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3212 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0353 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7494 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4635 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1776 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8917 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6058 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3199 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 4 1 1 0 0 0 2 3 1 0 0 0 0 3 12 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 7 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 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 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 5 1 0 0 0 0 35 36 2 0 0 0 0 35 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 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 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 M END > CDB003281 > CDB > [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C47H93O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45H,3-44H2,1-2H3,(H2,50,51,52)/t45-/m1/s1 > ZILYMGNMBYRGDM-WBVITSLISA-N > C47H93O8P > 817.227 > 816.660806953 > 5 > 149 > 106.33147771818757 > 0 > 2 > 0 > 0 > [(2R)-2,3-bis(docosanoyloxy)propoxy]phosphonic acid > 10.12 > 17.214351730666667 > -7.35 > 0 > 0 > -2 > 6.343234649149876 > 1.3174060830586427 > -6.744159310865148 > 119.35999999999999 > 233.7838 > 48 > 0 > 3.64e-05 g/l > (2R)-2,3-bis(docosanoyloxy)propoxyphosphonic acid > 0 > CDB003281 > PA(22:0/22:0) $$$$