LMSP02030094 LIPID_MAPS_STRUCTURE_DATABASE 49 48 0 0 0 999 V2000 0.8844 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8709 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7555 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6404 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 -0.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 -0.4172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7622 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6404 0.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 1.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 1.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6966 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6966 -1.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4655 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2346 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1192 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0037 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8883 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7728 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6574 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5419 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4264 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3110 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1955 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0801 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9646 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8492 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7337 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6183 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5028 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3873 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2719 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1564 -1.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5245 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4091 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2936 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1782 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0627 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9473 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8318 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7164 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6009 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4854 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3700 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2545 0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 0.1921 0.0000 O 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 7 1 6 0 0 0 1 6 1 1 0 0 0 8 1 1 0 0 0 0 9 8 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 7 13 1 0 0 0 0 13 14 2 0 0 0 0 13 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 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 5 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 1 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 15 49 1 1 0 0 M END > LMSP02030094 > Entadamide > N-(2R-hydroxy-tricos-16E-enoyl)-4R-hydroxy-octadecasphinganine > C41H81NO5 > 667.61 > Sphingolipids [SP] > Ceramides [SP02] > N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203] > - > (2S,2’R,3S,4R,16E)-N-[2′-hydroxytricos-16-enoyl]-2-amino-octadecane-1,3,4-triol > YBINHFOOPIHYHL-MPSJVOSZSA-N > InChI=1S/C41H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h13,15,37-40,43-46H,3-12,14,16-36H2,1-2H3,(H,42,47)/b15-13+/t37-,38+,39+,40-/m0/s1 > [C@](CO)([H])(NC([C@H](O)CCCCCCCCCCCCC/C=C/CCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC > - > - > - > Cer 41:1;O4 > - > - > 178330876 > - > - > - > - > - > 204973 > 37977828 $$$$