1-14,17-epoxy-15-methyldocosa-14,16-dienoyl-2-12,15-epoxy-13-methyleicosa-12,14-dienoyl-sn-glycero-3-phosphocholine Mrv1652303032023442D 66 67 0 0 0 0 999 V2000 8.6089 -24.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8944 -23.7474 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4819 -24.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 -23.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1799 -23.3349 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 0 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 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 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 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 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 60 61 1 0 0 0 0 55 61 1 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 2 1 M END > HMDB0061414 > hmdb > [H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)COP(O)(=O)OCC[N+](C)(C)C)=C1C > InChI=1S/C53H94NO10P/c1-9-11-27-33-47-41-44(3)49(62-47)34-29-23-19-17-18-22-26-32-38-53(56)63-48(43-61-65(57,58)60-40-39-54(6,7)8)42-59-52(55)37-31-25-21-16-14-13-15-20-24-30-36-51-46(5)45(4)50(64-51)35-28-12-10-2/h41,48H,9-40,42-43H2,1-8H3/p+1 > PRLWJNJVYWNAPH-UHFFFAOYSA-O > C53H95NO10P > 937.2959 > 936.669359777 > 4 > 160 > 116.58124459307422 > 0 > 1 > 1 > 0 > (3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid > 5.77 > 11.174514296528255 > -5.78 > 0 > 2 > 0 > 1.8550861887704242 > -2.3205848560806888 > 134.64 > 276.73760000000004 > 44 > 0 > 1.60e-03 g/l > 3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy(2-(trimethylammonio)ethoxy)phosphinic acid > 0 > HMDB0061414 > PC(DiMe(13,5)/MonoMe(11,5)) $$$$