LMGP01050147 LIPID_MAPS_STRUCTURE_DATABASE 39 38 0 0 0 999 V2000 -1.9373 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8027 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6684 0.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -0.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0716 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2061 0.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 -0.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6679 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -0.5098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 -1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 0.3609 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 -0.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2709 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1431 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0154 0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8878 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7601 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6324 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5047 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3771 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2494 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1217 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9940 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8663 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7387 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6110 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4833 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3556 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3981 -0.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2637 -1.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1217 2.5101 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 1 7 1 6 0 0 0 1 6 1 1 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 11 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 10 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 3 0 0 0 0 24 25 1 0 0 0 0 25 26 2 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 2 0 0 0 0 8 37 1 1 0 0 37 38 1 0 0 0 30 39 1 0 0 0 M CHG 2 14 1 19 -1 M END > LMGP01050147 > PC 18:3(5Y,7Z,17)(2OMe[S],12Me)/0:0 > 1-(2S-methoxy-12-methyloctadeca-7Z,17-dien-5-ynoyl)-sn-glycero-3-phosphocholine > C28H50NO8P > 559.33 > Glycerophospholipids [GP] > Glycerophosphocholines [GP01] > Monoacylglycerophosphocholines [GP0105] > - > Stellettacholine A > DEHUAXGMZWQADO-AFWIEJNYSA-N > InChI=1S/C28H50NO8P/c1-7-8-9-15-18-25(2)19-16-13-11-10-12-14-17-20-27(34-6)28(31)35-23-26(30)24-37-38(32,33)36-22-21-29(3,4)5/h7,10-11,25-27,30H,1,8-9,13,15-24H2,2-6H3/b11-10-/t25?,26-,27+/m1/s1 > [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC([C@@H](OC)CCC#C/C=C\CCCC(C)CCCCC=C)=O > - > - > - > LPC 20:4;O > - > - > 21629653 > - > - > - > - > - > 2646757 > 12762820 $$$$