LMSP05010141 LIPID_MAPS_STRUCTURE_DATABASE 63 63 0 0 0 999 V2000 -2.5929 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4267 0.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2607 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1109 -0.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0748 -0.3307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7588 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9248 0.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 -1.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9727 1.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 1.7879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2607 -0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7882 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4692 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3097 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1501 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9906 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8311 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6716 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5120 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3525 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1930 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0334 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8739 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7144 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5549 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3953 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2358 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0763 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.9168 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7572 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.5977 -0.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.4382 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7882 0.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5549 0.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1011 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9416 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6225 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4630 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3034 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1439 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9844 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8249 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6653 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5058 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3463 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1868 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0272 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8677 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7082 0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6287 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 1.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5419 0.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5253 -1.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0686 -1.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7245 -2.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 -0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8072 0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6719 -0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 -1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 9 2 0 0 0 0 8 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 3 12 1 6 0 0 0 8 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 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 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 13 34 1 6 0 0 0 26 35 1 0 0 0 0 3 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 13 52 1 0 0 0 0 52 14 1 0 0 0 0 57 63 1 0 0 0 62 56 1 0 0 0 56 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 1 0 0 58 7 1 1 0 0 59 53 1 6 0 0 60 54 1 1 0 0 61 55 1 6 0 0 M END > LMSP05010141 > GlcCer(t20:1(11Z)/23:1(17E)(2OH[S],16OH)) > N-(2R,16-dihydroxy-17E-tricosenoyl)-1-beta-glucopyranosyl-4R-hydroxy-11Z-eicosasphingenine > C49H93NO11 > 871.67 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > JKXQFBJFWHUSCL-IEURZVMYSA-N > InChI=1S/C49H93NO11/c1-3-5-7-9-10-11-12-13-14-17-20-23-27-31-35-41(53)44(55)40(38-60-49-47(58)46(57)45(56)43(37-51)61-49)50-48(59)42(54)36-32-28-24-21-18-15-16-19-22-26-30-34-39(52)33-29-25-8-6-4-2/h13-14,29,33,39-47,49,51-58H,3-12,15-28,30-32,34-38H2,1-2H3,(H,50,59)/b14-13-,33-29+/t39?,40-,41+,42-,43+,44-,45+,46-,47+,49+/m0/s1 > [C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)([H])(NC([C@H](CCCCCCCCCCCCCC(O)/C=C/CCCCC)O)=O)[C@]([H])(O)[C@@H](CCCCCC/C=C\CCCCCCCC)O > - > - > - > HexCer 43:2;O5 > - > - > 171120284 > - > - > - > - > - > 2642991 > 33371471 $$$$