LMSP03010064 LIPID_MAPS_STRUCTURE_DATABASE 55 54 0 0 0 0 0 0 0 0999 V2000 19.3958 7.0455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7347 7.4261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0735 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7779 6.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0136 6.3844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0571 7.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7183 7.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3552 7.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0162 6.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6774 7.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3386 6.6479 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 25.0000 7.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3386 5.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 6.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6590 7.3130 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.3221 6.7293 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.6590 8.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3212 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3212 5.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6601 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0947 8.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3664 8.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9942 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3279 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6615 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9952 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3288 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6625 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9961 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3298 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6634 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9971 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3307 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6645 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9981 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3318 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6654 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9991 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3327 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6664 6.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4070 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7407 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0743 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4080 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7416 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0753 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4089 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7426 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0762 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4099 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7435 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0772 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4108 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7445 7.4261 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 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 8 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 5 1 0 0 0 0 15 7 1 0 0 0 0 2 21 1 1 0 0 0 2 22 1 6 0 0 0 20 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 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 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 3 42 2 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 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 2 11 1 16 -1 M END > LMSP03010064 > SM(d18:2/21:0) > N-(heneicosanoyl)-4E,14Z-sphingadienine-1-phosphocholine > C44H87N2O6P > 770.63 > Sphingolipids [SP] > Phosphosphingolipids [SP03] > Ceramide phosphocholines (sphingomyelins) [SP0301] > - > > SDUGEKJCGFHJRC-IYXZHQORSA-N > InChI=1S/C44H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h11,13,35,37,42-43,47H,6-10,12,14-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b13-11-,37-35+/t42-,43+/m0/s1 > [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC > - > - > - > SM 39:2;O2 > - > - > 52931187 > - > - > - > - > - > 9606 > 20671299 $$$$