1,2-di14,17-epoxy-15,16-dimethyldocosa-14,16-dienoyl-sn-glycero-3-phosphocholine Mrv1652303032023472D 68 69 0 0 0 0 999 V2000 8.3118 -25.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5973 -25.1451 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1848 -25.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0098 -24.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -24.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -23.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -23.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -22.6701 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 -22.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 -22.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -21.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -21.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 -20.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 -19.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9763 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4053 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5487 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6349 -21.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0218 -21.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4419 -21.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7775 -22.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8544 -20.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3024 -20.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6749 -20.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1598 -21.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9803 -21.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4652 -22.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2857 -21.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5973 -20.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 -21.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4552 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1697 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8841 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5986 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3131 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0276 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7420 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4565 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1710 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8854 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5999 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6861 -19.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0730 -18.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4931 -19.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8287 -18.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9056 -19.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3536 -20.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7261 -20.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0617 -20.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8821 -20.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2177 -21.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0382 -21.6836 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 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 35 36 1 0 0 0 0 30 36 1 0 0 0 0 35 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 13 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 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 1 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 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 62 63 1 0 0 0 0 57 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 2 1 M END > BMDB0066025 > bmdb > [H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C > InChI=1S/C54H96NO10P/c1-8-10-28-34-48-42-46(3)51(63-48)36-30-24-20-16-12-14-18-22-26-32-38-53(56)60-44-50(45-62-66(58,59)61-41-40-55(5,6)7)65-54(57)39-33-27-23-19-15-13-17-21-25-31-37-52-47(4)43-49(64-52)35-29-11-9-2/h42-43,50H,8-41,44-45H2,1-7H3/p+1 > HYMKRGXOUXAQPP-UHFFFAOYSA-O > C54H97NO10P > 951.3224 > 950.685009841 > 4 > 163 > 118.7787722029309 > 0 > 1 > 1 > 0 > [2,3-bis({[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid > 6.02 > 11.55023023719492 > -5.76 > 0 > 2 > 0 > 1.855083122989484 > -2.3691382078881316 > 134.64 > 280.8984 > 46 > 0 > 1.73e-03 g/l > 2,3-bis({[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy(2-(trimethylammonio)ethoxy)phosphinic acid > 0 > BMDB0066025 > PC(MonoMe(13,5)/MonoMe(13,5)) $$$$