Mrv0541 08141218032D 32 31 0 0 0 0 999 V2000 -0.7658 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6632 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 -3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6671 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8092 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0947 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0960 -3.2704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0947 -2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 -4.0954 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 13.8256 -3.9849 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.6506 -2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9526 -3.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5237 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2381 -3.2704 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.5211 -2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 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 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 17 16 1 0 0 0 0 20 18 1 0 0 0 0 20 19 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 27 18 1 0 0 0 0 27 21 1 0 0 0 0 28 17 1 0 0 0 0 29 19 1 0 0 0 0 30 25 1 0 0 0 0 30 26 2 0 0 0 0 30 28 1 0 0 0 0 30 29 1 0 0 0 0 31 7 1 0 0 0 0 32 8 1 0 0 0 0 M CHG 2 24 1 25 -1 M RAD 2 22 3 24 2 M END > M2MDB001526 > M2MDB > [H]\C(CCCCCC)=C(\[H])CCCCCCCC(=[O+])OCC(O)COP([O-])(=O)OCC[N] > InChI=1S/C21H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19H2,1H3,(H,25,26)/q+1/p-1/b8-7+ > CPSHTZILDYABSV-BQYQJAHWSA-M > C21H39NO7P > 448.5106 > 448.246414119 > 4 > 50.51480732135134 > 1 > 1 > 0 > 1 > {2-[(2-hydroxy-3-{[(9E)-1-(λ³-oxidanyliumylidene)hexadec-9-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene > 4.78 > 3.2929320081875564 > -4.58 > 0 > 0 > 0 > 13.348522618954924 > 1.8871345027375703 > -3.5383199990294774 > 105.12000000000002 > 115.88529999999994 > 22 > 1 > 1.33e-02 g/l > {2-[(2-hydroxy-3-{[(9E)-1-(λ³-oxidanyliumylidene)hexadec-9-en-1-yl]oxy}propyl phosphonato)oxy]ethyl}azanylidene > 0 > ECMDB21117 > 1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:1) $$$$