1-14,17-epoxy-15,16-dimethyldocosa-14,16-dienoyl-2-12,15-epoxy-13-methyleicosa-12,14-dienoyl-sn-glycero-3-phosphoethanolamine Mrv1652303032023522D 63 64 0 0 1 0 999 V2000 8.6089 -22.5099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8944 -22.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 -22.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 -22.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 -21.2724 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 -21.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 -21.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 -20.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 -20.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 -19.2099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4655 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -19.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -17.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3221 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8931 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3937 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8227 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2516 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 -20.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 -20.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1448 -20.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4804 -20.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5573 -19.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0053 -18.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3778 -19.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8627 -20.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6832 -19.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1681 -20.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9886 -20.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8944 -18.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6089 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6089 -20.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3233 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0378 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7523 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4668 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1812 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8957 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6102 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3246 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0391 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7536 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4681 -18.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5543 -17.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9412 -17.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3613 -17.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6968 -17.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7738 -18.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2217 -19.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5942 -18.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9298 -19.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7503 -19.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0858 -20.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9063 -20.2859 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 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 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 32 33 1 0 0 0 0 27 33 1 0 0 0 0 32 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 37 38 1 0 0 0 0 10 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 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 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 57 58 1 0 0 0 0 52 58 1 0 0 0 0 57 59 1 0 0 0 0 59 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 M END > BMDB0066105 > bmdb > [H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C([H])=C(CCCCC)O2)=C1C > InChI=1S/C49H86NO10P/c1-5-7-23-29-43-37-41(3)46(58-43)31-25-19-15-11-9-10-12-17-21-27-33-48(51)55-39-45(40-57-61(53,54)56-36-35-50)60-49(52)34-28-22-18-14-13-16-20-26-32-47-42(4)38-44(59-47)30-24-8-6-2/h37-38,45H,5-36,39-40,50H2,1-4H3,(H,53,54)/t45-/m1/s1 > NEASWXMUXNGYQT-WBVITSLISA-N > C49H86NO10P > 880.1816 > 879.598934489 > 5 > 147 > 107.11244129360571 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid > 7.92 > 12.998211885280483 > -5.57 > 0 > 2 > 0 > 1.8688254229438082 > 9.999929336362465 > 160.66000000000003 > 245.71350000000007 > 43 > 0 > 2.36e-03 g/l > 2-aminoethoxy((2R)-3-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)phosphinic acid > 0 > BMDB0066105 > PE(MonoMe(13,5)/MonoMe(11,5)) $$$$