PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Mrv1652309121721372D 62 61 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 9.6648 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9507 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2365 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4115 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6973 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9832 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1582 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -4.1769 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 14.1698 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3448 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6306 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9165 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0915 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3773 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6632 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8382 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4099 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5849 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8707 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1566 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3316 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9033 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0783 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3641 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -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 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 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 40 7 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 M END > BMDB0012428 > bmdb > [H][C@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)C(O)=O > InChI=1S/C48H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(51)59-44(42-57-60(54,55)58-43-45(49)48(52)53)41-56-46(50)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,34,36,44-45H,3-4,6,8-10,15-16,21,23,26,29,31-33,35,37-43,49H2,1-2H3,(H,52,53)(H,54,55)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-22-,27-25-,30-28-,36-34-/t44-,45+/m1/s1 > QPQIUVRFRMEHGI-KTIJQTJVSA-N > C48H76NO10P > 858.0915 > 857.520684169 > 7 > 136 > 96.58385374015177 > 0 > 3 > 0 > 0 > (2S)-2-amino-3-({[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid > 5.11 > 10.681898505585949 > -7.09 > 0 > 0 > -1 > 2.178396015626224 > 1.468033999151968 > 9.376604467850063 > 171.68 > 252.8932000000001 > 41 > 0 > 6.96e-05 g/l > (2S)-2-amino-3-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid > 0 > BMDB0012428 > PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$