1-12,15-epoxy-13-methyleicosa-12,14-dienoyl-2-10,13-epoxy-11-methyloctadeca-10,12-dienoyl-sn-glycero-3-phosphocholine Mrv1652303032023462D 60 61 0 0 0 0 999 V2000 7.7741 -21.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0597 -20.9519 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6472 -21.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4722 -20.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3452 -20.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3452 -19.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 -19.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 -18.4769 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.8057 -18.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4557 -18.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 -17.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3452 -17.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3452 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -16.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2018 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2018 -15.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3439 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9429 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6574 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 -17.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 -17.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5506 -17.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 -18.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 -16.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4111 -16.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7836 -16.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2685 -17.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0890 -17.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0597 -16.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7741 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7741 -17.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4886 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2031 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9175 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6320 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3465 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0609 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7754 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4899 -16.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2044 -16.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2906 -15.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6775 -14.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0976 -15.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4331 -14.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5101 -15.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9580 -16.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3305 -15.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6661 -16.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4866 -16.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8221 -17.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6426 -17.4905 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 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 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 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 13 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 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 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 54 55 1 0 0 0 0 49 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 2 1 M END > BMDB0066008 > bmdb > [H]C1=C(CCC)OC(CCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C > InChI=1S/C46H80NO10P/c1-8-10-21-27-41-35-39(4)44(56-41)29-23-18-15-16-20-25-31-46(49)57-42(37-54-58(50,51)53-33-32-47(5,6)7)36-52-45(48)30-24-19-14-12-11-13-17-22-28-43-38(3)34-40(55-43)26-9-2/h34-35,42H,8-33,36-37H2,1-7H3/p+1 > SAPVZOIDJUSJRK-UHFFFAOYSA-O > C46H81NO10P > 839.1098 > 838.559809329 > 4 > 139 > 101.76790335322869 > 0 > 1 > 1 > 0 > (2-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}-3-{[11-(3-methyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid > 4.68 > 7.9936809171949195 > -5.62 > 0 > 2 > 0 > 1.8550831278856474 > -2.369056173230555 > 134.64 > 244.09040000000005 > 38 > 0 > 2.08e-03 g/l > 2-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}-3-{[11-(3-methyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy(2-(trimethylammonio)ethoxy)phosphinic acid > 0 > BMDB0066008 > PC(MonoMe(11,3)/MonoMe(9,5)) $$$$