1-10,13-epoxy-11-methylhexadeca-10,12-dienoyl-2-10,13-epoxy-11-methyloctadeca-10,12-dienoyl-sn-glycero-3-phosphocholine Mrv1652303032023442D 58 59 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 C 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 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 H 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 13 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 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 2 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 52 53 1 0 0 0 0 47 53 1 0 0 0 0 52 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 1 0 0 0 0 M CHG 1 2 1 M END > BMDB0065990 > bmdb > [H]C1=C(CCCCC)OC(CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C > InChI=1S/C45H78NO10P/c1-9-11-20-26-39-33-36(3)41(54-39)27-21-16-12-15-19-24-30-45(48)55-40(35-53-57(49,50)52-32-31-46(6,7)8)34-51-44(47)29-23-18-14-13-17-22-28-43-38(5)37(4)42(56-43)25-10-2/h33,40H,9-32,34-35H2,1-8H3/p+1 > AGHFPRCTCDCWRH-UHFFFAOYSA-O > C45H79NO10P > 825.0832 > 824.544159265 > 4 > 136 > 99.77318903414923 > 0 > 1 > 1 > 0 > (3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid > 4.32 > 7.6179649765282536 > -5.63 > 0 > 2 > 0 > 1.8550861945952608 > -2.320497585844422 > 134.64 > 239.92960000000005 > 36 > 0 > 2.02e-03 g/l > 3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[9-(3-methyl-5-pentylfuran-2-yl)nonanoyl]oxy}propoxy(2-(trimethylammonio)ethoxy)phosphinic acid > 0 > BMDB0065990 > PC(DiMe(9,3)/MonoMe(9,5)) $$$$