m1139 Mrv1572012151520032D 45 44 0 0 1 0 999 V2000 21.1276 -3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2288 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5536 -4.5894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8784 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9038 -4.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2032 -4.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0267 -5.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5790 -4.1996 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.1892 -3.5244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9688 -4.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2541 -3.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9292 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6043 -3.8098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1413 -5.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3005 -3.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0978 -3.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3005 -2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1079 -4.4925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4888 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4888 -3.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7747 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0605 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3464 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6322 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9181 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2039 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4898 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7757 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3122 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3122 -6.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5981 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8839 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8839 -6.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1698 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4556 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7415 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0273 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3132 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1708 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4567 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7425 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0284 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 1 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 6 19 1 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 1 1 6 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 19 20 2 0 0 0 0 19 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 30 7 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 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 M END > M2MDB003941 > M2MDB > [H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC)OC(=O)CC(O)CCCCCCCCCCC)C(O)=O > InChI=1S/C30H58NO11P/c1-3-5-7-9-11-12-14-15-17-19-25(32)21-29(34)42-26(23-40-43(37,38)41-24-27(31)30(35)36)22-39-28(33)20-18-16-13-10-8-6-4-2/h25-27,32H,3-24,31H2,1-2H3,(H,35,36)(H,37,38)/t25?,26-,27+/m1/s1 > IFGAHCFRSXKRDN-LVSLPKHJSA-N > C30H58NO11P > 639.764 > 639.37474869 > 8 > 101 > 71.98544139758364 > 0 > 4 > 0 > 0 > (2S)-2-amino-3-({[(2R)-3-(decanoyloxy)-2-[(3-hydroxytetradecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid > 1.78 > 4.7061463787419875 > -5.68 > 0 > 0 > -1 > 2.1783960153966304 > 1.4680339989465097 > 9.376603434387796 > 191.91 > 161.5413 > 32 > 0 > 1.35e-03 g/l > (2S)-2-amino-3-{[(2R)-3-(decanoyloxy)-2-[(3-hydroxytetradecanoyl)oxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid > 0 > ECMDB23551 > PS(10:0/14:0(3-OH)) $$$$