PE-NMe(14:1(9Z)/16:0) Mrv1652309151723332D 47 46 0 0 1 0 999 V2000 29.3976 11.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.4018 10.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3643 11.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6161 10.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1970 11.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0560 10.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0595 10.8436 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 32.0595 11.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0893 10.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8845 10.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.6839 11.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4494 10.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2016 11.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.9964 10.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3976 9.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9360 11.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9360 12.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2219 11.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5077 11.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7936 11.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0795 11.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3654 11.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6513 11.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9372 11.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2231 11.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3981 11.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6840 11.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9698 11.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2557 11.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5416 11.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7844 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7844 8.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0703 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3562 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6421 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9280 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2139 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4998 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7857 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0715 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3574 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6433 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9292 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2151 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5010 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7869 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0727 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 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 2 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 31 32 2 0 0 0 0 31 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 36 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 M END > HMDB0112941 > hmdb > [H]C(COC(=O)CCCCCCC\C=C/CCCC)(COP(O)(=O)OCCNC)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C36H70NO8P/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37-3)32-42-35(38)28-26-24-22-20-18-15-13-11-9-7-5-2/h11,13,34,37H,4-10,12,14-33H2,1-3H3,(H,40,41)/b13-11- > GXZUTPYFCHNTMV-QBFSEMIESA-N > C36H70NO8P > 675.929 > 675.483905216 > 5 > 116 > 82.39118783520492 > 0 > 2 > 0 > 0 > [2-(hexadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid > 7.92 > 9.423538520773896 > -6.94 > 0 > 0 > 0 > 1.8561780131739214 > 10.045225536699881 > 120.38999999999999 > 187.6931 > 37 > 0 > 7.84e-05 g/l > 2-(hexadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid > 0 > HMDB0112941 > PE-NMe(14:1(9Z)/16:0) $$$$