PE(16:1(9Z)/12:0(3-OH)) Mrv1652308101903132D 45 44 0 0 1 0 999 V2000 19.3839 -5.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7088 -5.9135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0337 -5.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0590 -5.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3586 -5.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1819 -6.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7340 -5.5239 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.3443 -4.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1238 -6.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4092 -5.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0843 -5.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7594 -5.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4345 -5.5239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2965 -6.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6440 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6440 -4.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9299 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2157 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5016 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0734 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3593 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6452 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1061 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3920 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6778 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9637 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2496 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5355 -5.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 -5.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4675 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4675 -7.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7534 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0392 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0392 -7.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3251 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6110 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8969 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1828 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4686 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7545 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3263 -7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6122 -6.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 5 15 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 15 16 2 0 0 0 0 15 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 2 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 32 6 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 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 M END > M2MDB003896 > M2MDB > [H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CC(O)CCCCCCCCC > InChI=1S/C33H64NO9P/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-32(36)40-28-31(29-42-44(38,39)41-26-25-34)43-33(37)27-30(35)23-21-19-17-10-8-6-4-2/h12-13,30-31,35H,3-11,14-29,34H2,1-2H3,(H,38,39)/b13-12-/t30?,31-/m1/s1 > ANNMCGUYFODLQZ-GSIRTEBISA-N > C33H64NO9P > 649.847 > 649.431869643 > 6 > 108 > 76.20565907043635 > 0 > 3 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(3-hydroxydodecanoyl)oxy]propoxy]phosphinic acid > 6.04 > 7.079907975036273 > -6.27 > 0 > 0 > 0 > 15.000097951546987 > 1.8688003132175717 > 9.999924995081619 > 154.60999999999999 > 175.232 > 34 > 0 > 3.49e-04 g/l > 2-aminoethoxy((2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(3-hydroxydodecanoyl)oxy]propoxy)phosphinic acid > 0 > ECMDB23506 > PE(16:1(9Z)/12:0(3-OH)) $$$$