1,2-di14,17-epoxy-15-methyldocosa-14,16-dienoyl-sn-glycero-3-phosphoethanolamine Mrv1652303032023492D 65 66 0 0 1 0 999 V2000 8.3118 -23.9076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5973 -23.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -23.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -23.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -22.6701 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 -22.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9934 -22.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 -21.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -21.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 -20.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1684 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 -20.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 -19.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9763 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4053 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1198 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5487 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6349 -21.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0218 -21.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4419 -21.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7775 -22.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8544 -20.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3024 -20.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6749 -20.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1598 -21.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9803 -21.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4652 -22.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2857 -21.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5973 -20.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 -21.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4552 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1697 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8841 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5986 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3131 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0276 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7420 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4565 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1710 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8854 -20.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5999 -20.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6861 -19.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0730 -18.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4931 -19.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8287 -18.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9056 -19.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3536 -20.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7261 -20.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0617 -20.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8821 -20.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2177 -21.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0382 -21.6836 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 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 57 59 2 0 0 0 0 59 60 1 0 0 0 0 54 60 1 0 0 0 0 59 61 1 0 0 0 0 61 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 M END > BMDB0066056 > bmdb > CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1 > InChI=1S/C53H94NO10P/c1-7-9-27-33-48-43(3)45(5)50(63-48)35-29-23-19-15-11-13-17-21-25-31-37-52(55)59-41-47(42-61-65(57,58)60-40-39-54)62-53(56)38-32-26-22-18-14-12-16-20-24-30-36-51-46(6)44(4)49(64-51)34-28-10-8-2/h47H,7-42,54H2,1-6H3,(H,57,58)/t47-/m1/s1 > STZVDMLJLPGTBD-QZNUWAOFSA-N > C53H94NO10P > 936.2879 > 935.661534745 > 5 > 159 > 115.93541335254508 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2,3-bis({[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy]phosphinic acid > 8.12 > 14.914191993507945 > -5.63 > 0 > 2 > 0 > 1.8688313635036495 > 9.99992933636251 > 160.66000000000003 > 264.9979000000001 > 45 > 0 > 2.19e-03 g/l > 2-aminoethoxy((2R)-2,3-bis({[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy})propoxy)phosphinic acid > 0 > BMDB0066056 > PE(DiMe(13,5)/DiMe(13,5)) $$$$