PS(12:0(3-OH)/14:0(3-OH)) Mrv1652308101903202D 48 47 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 14.0605 -3.4055 0.0000 O 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 8.3474 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6333 -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 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 1 0 0 0 0 33 7 1 0 0 0 0 33 34 2 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 36 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 M END > M2MDB003948 > M2MDB > [H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CC(O)CCCCCCCCC)OC(=O)CC(O)CCCCCCCCCCC)C(O)=O > InChI=1S/C32H62NO12P/c1-3-5-7-9-11-12-14-16-18-20-27(35)22-31(37)45-28(24-43-46(40,41)44-25-29(33)32(38)39)23-42-30(36)21-26(34)19-17-15-13-10-8-6-4-2/h26-29,34-35H,3-25,33H2,1-2H3,(H,38,39)(H,40,41)/t26?,27?,28-,29+/m1/s1 > UOULAGASNCXOOW-FNUNSLKWSA-N > C32H62NO12P > 683.817 > 683.400963438 > 9 > 108 > 77.20245675559873 > 0 > 5 > 0 > 0 > (2S)-2-amino-3-({hydroxy[(2R)-3-[(3-hydroxydodecanoyl)oxy]-2-[(3-hydroxytetradecanoyl)oxy]propoxy]phosphoryl}oxy)propanoic acid > 1.38 > 4.36447264176794 > -5.54 > 0 > 0 > -1 > 2.1783960153794037 > 1.46803399887684 > 9.376602400968773 > 212.14 > 172.2588 > 34 > 0 > 1.98e-03 g/l > (2S)-2-amino-3-{[hydroxy((2R)-3-[(3-hydroxydodecanoyl)oxy]-2-[(3-hydroxytetradecanoyl)oxy]propoxy)phosphoryl]oxy}propanoic acid > 0 > ECMDB23558 > PS(12:0(3-OH)/14:0(3-OH)) $$$$