LMSP04000007 LIPID_MAPS_STRUCTURE_DATABASE 51 50 0 0 0 0 0 0 0 0999 V2000 16.9684 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0998 -5.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2309 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4705 -7.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4664 -7.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8373 -5.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7061 -6.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5564 -7.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5564 -8.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5727 -5.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6157 -5.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6810 -7.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8055 -7.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9299 -7.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0544 -7.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1789 -7.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3034 -7.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4279 -7.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5524 -7.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6769 -7.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8014 -7.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9259 -7.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -7.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1749 -7.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 -7.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4236 -7.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3550 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4796 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6041 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7285 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9776 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1021 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2265 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4756 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9733 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0978 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2223 -6.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 -4.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7314 -6.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5713 -5.9846 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.4367 -6.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3019 -5.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1672 -6.4840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7462 -4.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8051 -6.9337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 -8.8661 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 25 51 1 0 0 0 M END > LMSP04000007 > CAEP(d20:3(4E,8E,10E)(9Me)/16:1(3E)(2OH[R])(15Me)) > N-(2R-hydroxy-15-methyl-3E-hexadecenoyl)-9-methyl-eicosasphinga-4E,8E,10E-trienine-1-(2-aminoethylphosphonate) > C40H75N2O6P > 710.54 > Sphingolipids [SP] > Phosphonosphingolipids [SP04] > > - > > HAKOTZKFYINQJC-BUDCILACSA-N > InChI=1S/C40H75N2O6P/c1-5-6-7-8-9-12-16-19-23-28-36(4)29-24-21-26-30-38(43)37(34-48-49(46,47)33-32-41)42-40(45)39(44)31-25-20-17-14-11-10-13-15-18-22-27-35(2)3/h23,25-26,28-31,35,37-39,43-44H,5-22,24,27,32-34,41H2,1-4H3,(H,42,45)(H,46,47)/b28-23+,30-26+,31-25+,36-29+/t37-,38+,39+/m0/s1 > [C@](COP(O)(=O)CCN)([H])(NC([C@H](O)/C=C/CCCCCCCCCCC(C)C)=O)[C@]([H])(O)/C=C/CC/C=C(\C)/C=C/CCCCCCCCC > - > - > - > - > - > - > 178331018 > - > - > - > - > - > 448385 > 21321121 $$$$