1-14,17-epoxy-15-methyldocosa-14,16-dienoyl-2-10,13-epoxy-11-methyloctadeca-10,12-dienoyl-sn-glycero-3-phosphocholine Mrv1652303032023442D 64 65 0 0 0 0 999 V2000 8.9060 -22.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1915 -22.3497 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7790 -23.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 -21.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 -21.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 -21.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 -20.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 -19.8747 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.9376 -19.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -19.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 -19.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 -18.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0481 -17.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3336 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3336 -16.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6191 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9047 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7613 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0468 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9545 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0407 -18.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4276 -19.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8477 -18.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 -19.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2602 -18.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7082 -17.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0807 -18.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5656 -18.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3861 -18.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8710 -19.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6915 -19.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1915 -17.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9060 -18.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6204 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3349 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0494 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7639 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4783 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1928 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9073 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6217 -17.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3362 -17.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4224 -16.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8094 -16.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2294 -16.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5650 -15.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6419 -17.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0899 -17.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4624 -17.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7980 -17.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6184 -18.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9540 -18.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7745 -18.8882 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 2 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 58 59 1 0 0 0 0 53 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 2 1 M END > BMDB0065981 > bmdb > [H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C > InChI=1S/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-19-20-24-30-36-51(54)61-46(41-59-63(55,56)58-38-37-52(6,7)8)40-57-50(53)35-29-23-18-16-14-13-15-17-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1 > CCKYYJHFYJCWOD-UHFFFAOYSA-O > C51H91NO10P > 909.2427 > 908.638059649 > 4 > 154 > 112.46476138768863 > 0 > 1 > 1 > 0 > (3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid > 5.48 > 10.285376966528254 > -5.78 > 0 > 2 > 0 > 1.8550861887704242 > -2.32058485608069 > 134.64 > 267.53560000000004 > 42 > 0 > 1.57e-03 g/l > 3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}propoxy(2-(trimethylammonio)ethoxy)phosphinic acid > 0 > BMDB0065981 > PC(DiMe(13,5)/MonoMe(9,5)) $$$$