Ketcher 06251514302D 1 1.00000 0.00000 0 56 55 0 1 0 999 V2000 11.8083 -5.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9424 -4.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0767 -5.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6743 -4.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5404 -5.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2724 -5.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1387 -4.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0049 -5.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8710 -4.9846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4064 -4.9848 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.4061 -3.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6651 -5.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7371 -5.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8709 -3.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7371 -4.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8090 -6.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 -4.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 -5.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2107 -4.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 -5.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2107 -3.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4785 -4.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6124 -5.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7464 -4.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8803 -5.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 -4.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 -5.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -6.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7805 -6.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9144 -6.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 -6.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 -6.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3162 -6.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5499 -6.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7806 -5.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6034 -6.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7373 -6.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0053 -6.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8712 -6.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1392 -6.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2732 -6.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4072 -6.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5411 -6.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6751 -6.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6751 -7.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4695 -6.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3355 -6.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3355 -7.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4696 -8.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6036 -7.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7374 -8.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8715 -7.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0054 -8.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1394 -7.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2733 -8.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4073 -7.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 4 1 1 0 0 0 5 4 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 9 8 1 0 0 0 5 10 1 0 0 0 10 6 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 9 13 1 0 0 0 9 14 1 0 0 0 9 15 1 0 0 0 1 16 1 6 0 0 27 17 1 0 0 0 17 18 2 0 0 0 28 18 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 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 26 27 1 0 0 0 30 29 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 34 33 1 0 0 0 28 34 1 0 0 0 29 35 1 0 0 0 19 3 1 0 0 0 36 37 1 0 0 0 37 39 1 0 0 0 38 39 1 0 0 0 40 38 1 0 0 0 40 41 1 0 0 0 42 41 1 0 0 0 42 43 1 0 0 0 44 43 1 0 0 0 44 45 2 0 0 0 44 16 1 0 0 0 36 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 M CHG 2 9 1 12 -1 M END > CHEBI:86172 > 1-[(9Z)-octadecenoyl]-2-eicosanoyl-sn-glycero-3-phosphocholine > A phosphatidylcholine 38:1 in which the acyl groups at positions 1 and 2 are specified as (9Z)-octadecenoyl and eicosanoyl respectively. > 3 > Phosphatidylcholine(18:1w9/20:0); Phosphatidylcholine(18:1n9/20:0); Phosphatidylcholine(18:1/20:0); PC(18:1w9/20:0); PC(18:1n9/20:0); PC(18:1/20:0); PC(18:1(9Z)/20:0); GPCho(18:1w9/20:0); GPCho(18:1n9/20:0); GPCho(18:1/20:0); 1-Oleoyl-2-arachidonyl-sn-glycero-3-phosphocholine > (2R)-2-(icosanoyloxy)-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate > C46H90NO8P > 816.18250 > 815.64041 > 0 > CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h21,24,44H,6-20,22-23,25-43H2,1-5H3/b24-21-/t44-/m1/s1 > MXRBMASUAJMEIJ-FHLWKLDVSA-N > LMGP01010902 $$$$