Mrv1572012091519012D 55 54 0 0 1 0 999 V2000 21.1277 -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 18.9039 -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 2 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 22.3004 -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 22.3004 -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 12.6323 -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 7.6332 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2050 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7767 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 -4.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3484 -4.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 -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 14.1697 -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 9.7741 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0599 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2034 -5.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 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 1 1 1 0 0 0 13 12 1 0 0 0 0 3 14 1 1 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 15 2 0 0 0 0 13 18 1 1 0 0 0 19 6 1 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 7 1 0 0 0 0 40 39 2 0 0 0 0 41 39 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 2 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 M END > M2MDB001497 > M2MDB > [H][C@@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)C(O)=O > InChI=1S/C41H78NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-39(43)49-34-37(35-50-53(47,48)51-36-38(42)41(45)46)52-40(44)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2/h14,16,37-38H,3-13,15,17-36,42H2,1-2H3,(H,45,46)(H,47,48)/b16-14-/t37-,38-/m1/s1 > XFQFHIIMHHWDDF-BFEBGPDFSA-N > C41H78NO10P > 776.046 > 775.536334714 > 7 > 131 > 92.70966138517869 > 0 > 3 > 0 > 0 > (2R)-2-amino-3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid > 4.81 > 10.46529110389927 > -7.00 > 0 > 0 > -1 > 2.178396015655446 > 1.4680339991787523 > 9.376604467850063 > 171.68 > 211.75340000000006 > 42 > 0 > 7.72e-05 g/l > (2R)-2-amino-3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(nonadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid > 0 > ECMDB21081 > PS(19:0/16:1(9Z)) $$$$