LMSP03020103 LIPID_MAPS_STRUCTURE_DATABASE 53 52 0 0 0 0 0 0 0 0999 V2000 16.8007 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9321 -6.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0632 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3028 -7.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2987 -7.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6696 -6.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5384 -6.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3887 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3887 -8.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4050 -5.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4480 -5.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5134 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6379 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7623 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8868 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0113 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1358 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2604 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3849 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5094 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6339 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7584 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0075 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1874 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3120 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4365 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5609 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6854 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9345 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3081 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4325 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6816 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9305 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -6.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6854 -5.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5638 -6.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4036 -6.0190 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.2689 -6.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1341 -6.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9993 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5785 -4.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6374 -6.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8654 -6.0185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3918 -7.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -7.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 5 1 6 0 0 1 4 1 1 0 0 6 1 1 0 0 0 7 6 1 0 0 0 8 9 2 0 0 0 8 5 1 0 0 0 2 10 1 1 0 0 2 11 1 6 0 0 8 12 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 3 27 2 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 31 43 1 0 0 0 12 44 1 1 0 0 7 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 45 49 2 0 0 0 45 50 1 0 0 0 48 51 1 0 0 0 26 52 1 0 0 0 52 53 1 0 0 0 M END > LMSP03020103 > CerPE(d20:3(4E,8E,10E)(9Me)/18:1(3E)(2OH[R])) > N-(2R-hydroxy-3E-octadecenoyl)-9-methyl-eicosasphinga-4E,8E,10E-trienine-1-phosphoethanolamine > C41H77N2O7P > 740.55 > Sphingolipids [SP] > Phosphosphingolipids [SP03] > Ceramide phosphoethanolamines [SP0302] > - > > JKQSCTPSNCCLNC-REXCJYLUSA-N > InChI=1S/C41H77N2O7P/c1-4-6-8-10-12-14-15-16-17-18-20-22-24-28-33-40(45)41(46)43-38(36-50-51(47,48)49-35-34-42)39(44)32-29-25-27-31-37(3)30-26-23-21-19-13-11-9-7-5-2/h26,28-33,38-40,44-45H,4-25,27,34-36,42H2,1-3H3,(H,43,46)(H,47,48)/b30-26+,32-29+,33-28+,37-31+/t38-,39+,40+/m0/s1 > [C@](COP(O)(=O)OCCN)([H])(NC([C@H](O)/C=C/CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C(\C)/C=C/CCCCCCCCC > - > - > - > CerPE 39:4;O3 > - > - > 178330885 > - > - > - > - > - > 448385 > 21321121 $$$$