71684450 CDK 1203211124 49 48 0 0 0 0 0 0 0 0999 V2000 5.2224 -5.3626 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -5.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -5.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 -4.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -6.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -4.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -6.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.3626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -6.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -4.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -4.9501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0804 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -5.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 30 1 0 0 0 0 3 39 1 0 0 0 0 3 42 1 0 0 0 0 38 4 1 1 0 0 0 4 45 1 0 0 0 0 5 43 1 0 0 0 0 6 39 2 0 0 0 0 9 45 2 0 0 0 0 10 46 2 0 0 0 0 11 49 1 0 0 0 0 12 49 2 0 0 0 0 13 24 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 31 39 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 40 1 0 0 0 0 36 41 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 40 44 1 0 0 0 0 41 45 1 0 0 0 0 44 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 M CHG 1 7 -1 M CHG 1 13 1 M END > CHEBI:187082 > PKDdiA-PC > 2 > [(2R)-2-[(E)-11-carboxy-9-oxoundec-10-enoyl]oxy-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate > C36H66NO11P > 719.894 > 719.43735 > 0 > P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)([O-])=O > InChI=1S/C36H66NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-35(41)45-30-33(31-47-49(43,44)46-29-28-37(2,3)4)48-36(42)25-22-19-16-17-20-23-32(38)26-27-34(39)40/h26-27,33H,5-25,28-31H2,1-4H3,(H-,39,40,43,44)/b27-26+/t33-/m1/s1 > XWKBYMQTSGGZLW-PHSKOSPPSA-N > LMGP20010017 $$$$