1-12,15-epoxy-13,14-dimethyleicosa-12,14-dienoyl-2-14,17-epoxy-15,16-dimethyldocosa-14,16-dienoyl-sn-glycero-3-phosphoethanolamine Mrv1652303032023482D 63 64 0 0 1 0 999 V2000 7.1799 -22.5099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 -22.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -22.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -22.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -21.2724 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2115 -21.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 -21.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -20.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -20.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -19.2099 0.0000 C 0 0 1 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 4.3221 -19.2099 0.0000 O 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 3.6076 -17.9724 0.0000 O 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 C 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 6.4655 -18.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 -19.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 -20.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8944 -18.7974 0.0000 C 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 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 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 30 31 1 0 0 0 0 25 31 1 0 0 0 0 30 32 1 0 0 0 0 32 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 10 37 1 1 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 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 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 > BMDB0066052 > bmdb > [H]C1=C(CCCCC)OC(CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCCN)=C1C > InChI=1S/C50H88NO10P/c1-6-8-24-30-44-38-41(3)46(59-44)31-26-20-16-12-10-11-13-19-23-29-35-50(53)60-45(40-58-62(54,55)57-37-36-51)39-56-49(52)34-28-22-18-15-14-17-21-27-33-48-43(5)42(4)47(61-48)32-25-9-7-2/h38,45H,6-37,39-40,51H2,1-5H3,(H,54,55)/t45-/m1/s1 > WDYHIEHMTFODHG-WBVITSLISA-N > C50H88NO10P > 894.2082 > 893.614584553 > 5 > 150 > 109.615006093843 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy]phosphinic acid > 7.91 > 13.511633274394208 > -5.55 > 0 > 2 > 0 > 1.868828393233886 > 9.999929336362486 > 160.66000000000003 > 250.75470000000004 > 43 > 0 > 2.52e-03 g/l > 2-aminoethoxy((2R)-3-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-2-{[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyl]oxy}propoxy)phosphinic acid > 0 > BMDB0066052 > PE(DiMe(11,5)/MonoMe(13,5)) $$$$