LMSP04000004 LIPID_MAPS_STRUCTURE_DATABASE 50 49 0 0 0 0 0 0 0 0999 V2000 18.6886 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8200 -5.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9511 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1907 -7.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1866 -7.3597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5575 -5.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4263 -6.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2766 -7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2766 -8.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2929 -5.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3359 -5.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4012 -7.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5257 -7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6501 -7.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7746 -7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8991 -7.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0236 -7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1481 -7.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2726 -7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 -7.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 -7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6461 -7.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7706 -7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8951 -7.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0196 -7.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1439 -7.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0752 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1998 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3243 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4487 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6978 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8222 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9467 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3202 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4447 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5692 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6936 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -5.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 -6.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 -4.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4516 -6.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2915 -5.9916 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.1568 -6.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0221 -5.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8873 -6.4911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4664 -4.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5253 -6.9408 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 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 M END > LMSP04000004 > CAEP(d20:3(4E,8E,10E)(9Me)/16:1(3E)(2OH[R])) > N-(2R-hydroxy-3E-hexadecenoyl)-9-methyl-eicosasphinga-4E,8E,10E-trienine-1-(2-aminoethylphosphonate) > C39H73N2O6P > 696.52 > Sphingolipids [SP] > Phosphonosphingolipids [SP04] > > - > > ZHJUKJMVZRIMRT-LOEJUSATSA-N > InChI=1S/C39H73N2O6P/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/h24,26-31,36-38,42-43H,4-23,25,32-34,40H2,1-3H3,(H,41,44)(H,45,46)/b28-24+,30-27+,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)/C=C/CCCCCCCCC > - > - > - > - > - > - > 178331015 > - > - > - > - > - > 448385 > 21321121 $$$$