1-10,13-epoxy-11-methyloctadeca-10,12-dienoyl-2-10,13-epoxy-11,12-dimethyloctadeca-10,12-dienoic -sn-glycero-3-phosphocholine Mrv1652303032023472D 60 61 0 0 0 0 999 V2000 6.6423 -19.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 -19.5542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5153 -20.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3403 -18.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 -19.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 -18.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -17.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -17.0792 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 -17.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3239 -17.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -16.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 -15.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 -15.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0699 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0699 -13.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3554 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2169 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3603 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4466 -15.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 -16.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 -16.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5891 -16.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -15.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -14.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4865 -15.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9714 -15.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7919 -15.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2768 -16.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0973 -16.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 -14.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6423 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6423 -15.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3567 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0712 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7857 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2146 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6436 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3580 -15.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0725 -14.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1587 -13.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5457 -13.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9657 -13.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3013 -12.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3782 -14.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8262 -14.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1987 -14.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5343 -15.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3547 -15.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6903 -16.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5108 -16.0927 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 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 26 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 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 > BMDB0066031 > bmdb > [H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OCC(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)=C1C > InChI=1S/C47H82NO10P/c1-9-11-21-27-41-35-38(3)43(56-41)28-23-17-13-15-19-25-31-46(49)53-36-42(37-55-59(51,52)54-34-33-48(6,7)8)57-47(50)32-26-20-16-14-18-24-30-45-40(5)39(4)44(58-45)29-22-12-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1 > PRBGAXLPKNJKMM-UHFFFAOYSA-O > C47H83NO10P > 853.1364 > 852.575459393 > 4 > 142 > 104.12661043052789 > 0 > 1 > 1 > 0 > (2-{[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyl]oxy}-3-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid > 4.71 > 8.507102306528253 > -5.70 > 0 > 2 > 0 > 1.8550861887704242 > -2.320584856080692 > 134.64 > 249.13160000000008 > 38 > 0 > 1.77e-03 g/l > 2-{[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyl]oxy}-3-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}propoxy(2-(trimethylammonio)ethoxy)phosphinic acid > 0 > BMDB0066031 > PC(MonoMe(9,5)/DiMe(9,5)) $$$$