LMSP04000005 LIPID_MAPS_STRUCTURE_DATABASE 50 49 0 0 0 0 0 0 0 0999 V2000 16.9685 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0999 -6.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2310 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4706 -7.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4665 -7.3871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8374 -6.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7062 -6.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5565 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5565 -8.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5728 -5.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6158 -5.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6811 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8056 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9299 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0544 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1789 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3034 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4279 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5524 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6769 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8014 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1749 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 -7.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 -7.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3551 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4796 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6041 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7285 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9776 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1021 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2265 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4756 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 -6.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 -5.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7315 -6.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5714 -6.0190 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.4368 -6.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3020 -6.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1672 -6.5184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7463 -4.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8052 -6.9681 0.0000 O 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 1 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 M END > LMSP04000005 > CAEP(d20:2(4E,8E)(9Me)/16:1(3E)(2OH[R])) > N-(2R-hydroxy-3E-hexadecenoyl)-9-methyl-eicosasphinga-4E,8E-dienine-1-(2-aminoethylphosphonate) > C39H75N2O6P > 698.54 > Sphingolipids [SP] > Phosphonosphingolipids [SP04] > > - > > JKNJELVGTHMREW-DFLOUKISSA-N > InChI=1S/C39H75N2O6P/c1-4-6-8-10-12-14-15-16-18-20-22-26-31-38(43)39(44)41-36(34-47-48(45,46)33-32-40)37(42)30-27-23-25-29-35(3)28-24-21-19-17-13-11-9-7-5-2/h26-27,29-31,36-38,42-43H,4-25,28,32-34,40H2,1-3H3,(H,41,44)(H,45,46)/b30-27+,31-26+,35-29+/t36-,37+,38+/m0/s1 > [C@](COP(O)(=O)CCN)([H])(NC([C@H](O)/C=C/CCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C(\C)/CCCCCCCCCCC > - > - > - > - > - > - > 178331016 > - > - > - > - > - > 448385 > 21321121 $$$$